1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine

C123H160F3N3O11 — CID 165084095

IUPAC1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine
SMILESC/C=C/c1ccc(OCCCC)cc1.CC(=O)NC(C)Cc1ccccc1.CC(=O)NC(C)c1ccccc1.CC(=O)c1ccccc1.CCCCOc1ccc(CCC)cc1.CCCc1ccc2ccccc2c1.CCCc1ccncc1.CCc1cc(OC)c(OC)c(OC)c1.CCc1ccc(C(F)(F)F)cc1.CCc1ccc(O)cc1.CCc1ccc(OCCOC)cc1.CCc1ccccc1
InChIInChI=1S/C13H20O.C13H18O.C13H14.C11H15NO.C11H16O3.C11H16O2.C10H13NO.C9H9F3.C8H11N.C8H8O.C8H10O.C8H10/c2*1-3-5-11-14-13-9-7-12(6-4-2)8-10-13;1-2-5-11-8-9-12-6-3-4-7-13(12)10-11;1-9(12-10(2)13)8-11-6-4-3-5-7-11;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;1-8(11-9(2)12)10-6-4-3-5-7-10;1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-3-8-4-6-9-7-5-8;1-7(9)8-5-3-2-4-6-8;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h7-10H,3-6,11H2,1-2H3;4,6-10H,3,5,11H2,1-2H3;3-4,6-10H,2,5H2,1H3;3-7,9H,8H2,1-2H3,(H,12,13);6-7H,5H2,1-4H3;4-7H,3,8-9H2,1-2H3;3-8H,1-2H3,(H,11,12);3-6H,2H2,1H3;4-7H,2-3H2,1H3;2-6H,1H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3/b;6-4+;;;;;;;;;;
InChIKeyVPEWOPGXHSCVOW-LJABKSGBSA-N
MW1913.64 g/mol
LogP31.09
Rot. Bonds33

About 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine

1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine (PubChem CID 165084095) has the molecular formula C123H160F3N3O11 and a molecular weight of 1913.64 g/mol. Its IUPAC name is 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine.

Molecular Properties

Compound Name1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine
PubChem CID165084095
Molecular FormulaC123H160F3N3O11
Molecular Weight1913.64 g/mol
Exact Mass1912.20
IUPAC Name1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine
SMILESC/C=C/c1ccc(OCCCC)cc1.CC(=O)NC(C)Cc1ccccc1.CC(=O)NC(C)c1ccccc1.CC(=O)c1ccccc1.CCCCOc1ccc(CCC)cc1.CCCc1ccc2ccccc2c1.CCCc1ccncc1.CCc1cc(OC)c(OC)c(OC)c1.CCc1ccc(C(F)(F)F)cc1.CCc1ccc(O)cc1.CCc1ccc(OCCOC)cc1.CCc1ccccc1
InChIInChI=1S/C13H20O.C13H18O.C13H14.C11H15NO.C11H16O3.C11H16O2.C10H13NO.C9H9F3.C8H11N.C8H8O.C8H10O.C8H10/c2*1-3-5-11-14-13-9-7-12(6-4-2)8-10-13;1-2-5-11-8-9-12-6-3-4-7-13(12)10-11;1-9(12-10(2)13)8-11-6-4-3-5-7-11;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;1-8(11-9(2)12)10-6-4-3-5-7-10;1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-3-8-4-6-9-7-5-8;1-7(9)8-5-3-2-4-6-8;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h7-10H,3-6,11H2,1-2H3;4,6-10H,3,5,11H2,1-2H3;3-4,6-10H,2,5H2,1H3;3-7,9H,8H2,1-2H3,(H,12,13);6-7H,5H2,1-4H3;4-7H,3,8-9H2,1-2H3;3-8H,1-2H3,(H,11,12);3-6H,2H2,1H3;4-7H,2-3H2,1H3;2-6H,1H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3/b;6-4+;;;;;;;;;;
InChIKeyVPEWOPGXHSCVOW-LJABKSGBSA-N
XLogP31.09
TPSA173.00 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001913.64
LogP ≤ 531.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine with MolForge

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Related Compounds

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CID 21919124
N-[3-(3.4,5,6-Tetramethoxy-2-methylbenzyl)-2-(4-pyridyl)benzoyl]-4-trifluoromethylaniline
CID 21919142
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CID 21919162
4-fluoro-N-{(1RS,2SR)-2-hydroxy-2-[4-(pyridin-3-yloxy)phenyl]-1-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]ethyl}-1-naphthamide
CID 22261416
4-fluoro-N-[1-hydroxy-1-(4-pyridin-2-yloxyphenyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-yl]naphthalene-1-carboxamide
CID 22261817
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CID 68459773
[2-(4-Propan-2-ylphenoxy)-6-[2-[[4-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]ethoxy]phenyl] pentanoate
CID 70275419
2-(2,3-difluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxamide
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2-(2,3-difluorophenyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine?
The IUPAC name of 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine (CID 165084095) is 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine.
What is the SMILES notation for 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine?
The canonical SMILES for 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine is C/C=C/c1ccc(OCCCC)cc1.CC(=O)NC(C)Cc1ccccc1.CC(=O)NC(C)c1ccccc1.CC(=O)c1ccccc1.CCCCOc1ccc(CCC)cc1.CCCc1ccc2ccccc2c1.CCCc1ccncc1.CCc1cc(OC)c(OC)c(OC)c1.CCc1ccc(C(F)(F)F)cc1.CCc1ccc(O)cc1.CCc1ccc(OCCOC)cc1.CCc1ccccc1.
What is the InChIKey of 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine?
The InChIKey is VPEWOPGXHSCVOW-LJABKSGBSA-N. The full InChI is InChI=1S/C13H20O.C13H18O.C13H14.C11H15NO.C11H16O3.C11H16O2.C10H13NO.C9H9F3.C8H11N.C8H8O.C8H10O.C8H10/c2*1-3-5-11-14-13-9-7-12(6-4-2)8-10-13;1-2-5-11-8-9-12-6-3-4-7-13(12)10-11;1-9(12-10(2)13)8-11-6-4-3-5-7-11;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;1-8(11-9(2)12)10-6-4-3-5-7-10;1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-3-8-4-6-9-7-5-8;1-7(9)8-5-3-2-4-6-8;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h7-10H,3-6,11H2,1-2H3;4,6-10H,3,5,11H2,1-2H3;3-4,6-10H,2,5H2,1H3;3-7,9H,8H2,1-2H3,(H,12,13);6-7H,5H2,1-4H3;4-7H,3,8-9H2,1-2H3;3-8H,1-2H3,(H,11,12);3-6H,2H2,1H3;4-7H,2-3H2,1H3;2-6H,1H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3/b;6-4+;;;;;;;;;;.
What are the key properties of 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine?
1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine has a molecular weight of 1913.64 g/mol, XLogP of 31.09, 33 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;4-ethylphenol;1-ethyl-4-(trifluoromethyl)benzene;5-ethyl-1,2,3-trimethoxybenzene;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;2-propylnaphthalene;4-propylpyridine is sourced from PubChem (CID 165084095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).