ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene

C156H175N7O9 — CID 161354288

IUPACethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene
SMILESCC=C(c1ccccc1)c1ccccc1.CCCc1cccc2ccccc12.CCc1cc(OC)c(OC)c(OC)c1.CCc1ccc(C)cc1.CCc1ccc(O)cc1.CCc1ccc(OCCOC)cc1.CCc1ccccc1.Cc1c2ccccc2cc2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc2c1=O.Cc1ccc(-c2cc(C)cc(N3CCOCC3)n2)cc1.Cc1cccc(-c2cc(C)cc(N3CCOCC3)n2)c1.Cc1cccc(-c2cc(C)ccn2)c1
InChIInChI=1S/2C17H20N2O.C15H12.C15H14.C13H13N.C13H14.C11H16O3.C11H16O2.C10H9NO.C9H9N.C9H12.C8H10O.C8H10/c1-13-3-5-15(6-4-13)16-11-14(2)12-17(18-16)19-7-9-20-10-8-19;1-13-4-3-5-15(10-13)16-11-14(2)12-17(18-16)19-6-8-20-9-7-19;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-5-8-6-9(12-2)11(14-4)10(7-8)13-3;1-3-10-4-6-11(7-5-10)13-9-8-12-2;1-7-6-11-9-5-3-2-4-8(9)10(7)12;1-7-6-10-9-5-3-2-4-8(7)9;1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h3-6,11-12H,7-10H2,1-2H3;3-5,10-12H,6-9H2,1-2H3;2-10H,1H3;2-12H,1H3;3-9H,1-2H3;3-5,7-10H,2,6H2,1H3;6-7H,5H2,1-4H3;4-7H,3,8-9H2,1-2H3;2-6H,1H3,(H,11,12);2-6,10H,1H3;4-7H,3H2,1-2H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3
InChIKeyVOIGJTZCVCBSMY-UHFFFAOYSA-N
MW2292.16 g/mol
LogP37.62
Rot. Bonds21

About ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene

ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene (PubChem CID 161354288) has the molecular formula C156H175N7O9 and a molecular weight of 2292.16 g/mol. Its IUPAC name is ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene.

Molecular Properties

Compound Nameethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene
PubChem CID161354288
Molecular FormulaC156H175N7O9
Molecular Weight2292.16 g/mol
Exact Mass2290.35
IUPAC Nameethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene
SMILESCC=C(c1ccccc1)c1ccccc1.CCCc1cccc2ccccc12.CCc1cc(OC)c(OC)c(OC)c1.CCc1ccc(C)cc1.CCc1ccc(O)cc1.CCc1ccc(OCCOC)cc1.CCc1ccccc1.Cc1c2ccccc2cc2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc2c1=O.Cc1ccc(-c2cc(C)cc(N3CCOCC3)n2)cc1.Cc1cccc(-c2cc(C)cc(N3CCOCC3)n2)c1.Cc1cccc(-c2cc(C)ccn2)c1
InChIInChI=1S/2C17H20N2O.C15H12.C15H14.C13H13N.C13H14.C11H16O3.C11H16O2.C10H9NO.C9H9N.C9H12.C8H10O.C8H10/c1-13-3-5-15(6-4-13)16-11-14(2)12-17(18-16)19-7-9-20-10-8-19;1-13-4-3-5-15(10-13)16-11-14(2)12-17(18-16)19-6-8-20-9-7-19;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-5-8-6-9(12-2)11(14-4)10(7-8)13-3;1-3-10-4-6-11(7-5-10)13-9-8-12-2;1-7-6-11-9-5-3-2-4-8(9)10(7)12;1-7-6-10-9-5-3-2-4-8(7)9;1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h3-6,11-12H,7-10H2,1-2H3;3-5,10-12H,6-9H2,1-2H3;2-10H,1H3;2-12H,1H3;3-9H,1-2H3;3-5,7-10H,2,6H2,1H3;6-7H,5H2,1-4H3;4-7H,3,8-9H2,1-2H3;2-6H,1H3,(H,11,12);2-6,10H,1H3;4-7H,3H2,1-2H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3
InChIKeyVOIGJTZCVCBSMY-UHFFFAOYSA-N
XLogP37.62
TPSA178.64 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002292.16
LogP ≤ 537.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;9-methylanthracene;3-methyl-2H-indazole;3-methyl-1H-indole;4-methyl-1H-indole;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene
CID 157061003
ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene
CID 160646557
6-[4-(2,3-dihydro-1H-indene-1-carbonylamino)piperidin-1-yl]-N-hydroxypyridine-3-carboxamide;6-[4-(3,3-diphenylpropanoylamino)piperidin-1-yl]-N-hydroxypyridine-3-carboxamide;N-hydroxy-6-[4-[[2-(1H-indol-3-yl)acetyl]amino]piperidin-1-yl]pyridine-3-carboxamide;N-hydroxy-6-[4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]piperidin-1-yl]pyridine-3-carboxamide
CID 161504658
4-[2-(4-ethyl-3-methoxyphenoxy)ethyl]morpholine;4-[2-(4-ethylphenoxy)ethyl]morpholine;1-(1H-indol-3-yl)ethanone;4-[2-(2-methoxy-4-methylphenoxy)ethyl]morpholine;4-[2-(3-methoxy-4-methylphenoxy)ethyl]morpholine;4-methyl-N-(2-morpholin-4-ylethyl)aniline;1-phenylethanone
CID 161886521
1-bromo-2-ethylsulfanylbenzene;ethylbenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;3-ethyl-5-fluoro-1H-indole;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trifluorobenzene;5-ethyl-1,2,3-trimethoxybenzene;5-fluoro-3-methyl-1H-indole;9-methylanthracene;2-methylbutan-2-ylbenzene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;4-methyl-2-piperidin-1-ylpyridine;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene;1,2,3-trimethylbenzene
CID 165089346
ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylacridine;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene
CID 165105493

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene?
The IUPAC name of ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene (CID 161354288) is ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene.
What is the SMILES notation for ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene?
The canonical SMILES for ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene is CC=C(c1ccccc1)c1ccccc1.CCCc1cccc2ccccc12.CCc1cc(OC)c(OC)c(OC)c1.CCc1ccc(C)cc1.CCc1ccc(O)cc1.CCc1ccc(OCCOC)cc1.CCc1ccccc1.Cc1c2ccccc2cc2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc2c1=O.Cc1ccc(-c2cc(C)cc(N3CCOCC3)n2)cc1.Cc1cccc(-c2cc(C)cc(N3CCOCC3)n2)c1.Cc1cccc(-c2cc(C)ccn2)c1.
What is the InChIKey of ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene?
The InChIKey is VOIGJTZCVCBSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20N2O.C15H12.C15H14.C13H13N.C13H14.C11H16O3.C11H16O2.C10H9NO.C9H9N.C9H12.C8H10O.C8H10/c1-13-3-5-15(6-4-13)16-11-14(2)12-17(18-16)19-7-9-20-10-8-19;1-13-4-3-5-15(10-13)16-11-14(2)12-17(18-16)19-6-8-20-9-7-19;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-5-8-6-9(12-2)11(14-4)10(7-8)13-3;1-3-10-4-6-11(7-5-10)13-9-8-12-2;1-7-6-11-9-5-3-2-4-8(9)10(7)12;1-7-6-10-9-5-3-2-4-8(7)9;1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h3-6,11-12H,7-10H2,1-2H3;3-5,10-12H,6-9H2,1-2H3;2-10H,1H3;2-12H,1H3;3-9H,1-2H3;3-5,7-10H,2,6H2,1H3;6-7H,5H2,1-4H3;4-7H,3,8-9H2,1-2H3;2-6H,1H3,(H,11,12);2-6,10H,1H3;4-7H,3H2,1-2H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3.
What are the key properties of ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene?
ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene has a molecular weight of 2292.16 g/mol, XLogP of 37.62, 21 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;5-ethyl-1,2,3-trimethoxybenzene;9-methylanthracene;3-methyl-1H-indole;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;3-methyl-1H-quinolin-4-one;1-phenylprop-1-enylbenzene;1-propylnaphthalene is sourced from PubChem (CID 161354288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).