2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene

C105H107N5O3S2 — CID 157476410

IUPAC2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene
SMILESCCc1ccc(-c2ccc(C)s2)cc1.Cc1ccc(-c2ccc(N)cc2)cc1.Cc1ccc(-c2ccccc2)cn1.Cc1ccc(-c2ccccc2)s1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(C(=O)c2ccccc2)cc1.Cc1ccc(C)cc1.Cc1ccc(N2CCOCC2)cc1.Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H12O.C13H13N.C13H12O.C13H14S.C12H11N.C11H15NO.C11H10S.C10H10N2.C8H10/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-3-11-5-7-12(8-6-11)13-9-4-10(2)14-13;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-7-3-5-8(2)6-4-7/h2-10H,1H3;2-9H,14H2,1H3;2-10H,1H3;4-9H,3H2,1-2H3;2-9H,1H3;2-5H,6-9H2,1H3;2*2-8H,1H3;3-6H,1-2H3
InChIKeyBVQHYZKDSLXZBE-UHFFFAOYSA-N
MW1551.18 g/mol
LogP27.64
Rot. Bonds11

About 2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene

2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene (PubChem CID 157476410) has the molecular formula C105H107N5O3S2 and a molecular weight of 1551.18 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene
PubChem CID157476410
Molecular FormulaC105H107N5O3S2
Molecular Weight1551.18 g/mol
Exact Mass1549.78
IUPAC Name2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene
SMILESCCc1ccc(-c2ccc(C)s2)cc1.Cc1ccc(-c2ccc(N)cc2)cc1.Cc1ccc(-c2ccccc2)cn1.Cc1ccc(-c2ccccc2)s1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(C(=O)c2ccccc2)cc1.Cc1ccc(C)cc1.Cc1ccc(N2CCOCC2)cc1.Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H12O.C13H13N.C13H12O.C13H14S.C12H11N.C11H15NO.C11H10S.C10H10N2.C8H10/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-3-11-5-7-12(8-6-11)13-9-4-10(2)14-13;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-7-3-5-8(2)6-4-7/h2-10H,1H3;2-9H,14H2,1H3;2-10H,1H3;4-9H,3H2,1-2H3;2-9H,1H3;2-5H,6-9H2,1H3;2*2-8H,1H3;3-6H,1-2H3
InChIKeyBVQHYZKDSLXZBE-UHFFFAOYSA-N
XLogP27.64
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001551.18
LogP ≤ 527.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene 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

2-(4-Ethylphenyl)-5-methylthiophene;methane;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1-methyl-4-(trifluoromethoxy)benzene
CID 157534284
Methane;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;1-methyl-4-(2-phenylethynyl)benzene;2-[2-(4-methylphenyl)ethynyl]pyrazine;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;1-methyl-4-(trifluoromethoxy)benzene
CID 158271057
1-Methyl-4-[2-(4-methylphenyl)ethynyl]benzene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;1-methyl-4-(2-phenylethynyl)benzene;2-[2-(4-methylphenyl)ethynyl]pyrazine;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;1-methyl-4-(trifluoromethoxy)benzene
CID 159284305
N,N-dimethyl-4-(4-methylphenyl)aniline;2-(4-ethylphenyl)-5-methylthiophene;2-(4-methoxyphenyl)-5-methylthiophene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;1-methyl-3-phenylbenzene;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1-methyl-4-(trifluoromethoxy)benzene
CID 161982733
1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137113800
1-[5-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137114142
1-[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137312850
2,3-Di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 157125478
1,2-Dimethyl-5-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);4-propan-2-ylaniline;2-propan-2-ylfuran;5-propan-2-yl-1,3-thiazole
CID 157604148
2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane
CID 158755663
2-Tert-butylaniline;3-tert-butylaniline;4-tert-butylaniline;4-tert-butyl-2-fluoropyridine;2-tert-butylfuran;4-tert-butyl-1-methylpyrazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 159116527
1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene
CID 159275832

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene?
The IUPAC name of 2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene (CID 157476410) is 2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene.
What is the SMILES notation for 2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene?
The canonical SMILES for 2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene is CCc1ccc(-c2ccc(C)s2)cc1.Cc1ccc(-c2ccc(N)cc2)cc1.Cc1ccc(-c2ccccc2)cn1.Cc1ccc(-c2ccccc2)s1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(C(=O)c2ccccc2)cc1.Cc1ccc(C)cc1.Cc1ccc(N2CCOCC2)cc1.Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene?
The InChIKey is BVQHYZKDSLXZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.C13H13N.C13H12O.C13H14S.C12H11N.C11H15NO.C11H10S.C10H10N2.C8H10/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-3-11-5-7-12(8-6-11)13-9-4-10(2)14-13;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-7-3-5-8(2)6-4-7/h2-10H,1H3;2-9H,14H2,1H3;2-10H,1H3;4-9H,3H2,1-2H3;2-9H,1H3;2-5H,6-9H2,1H3;2*2-8H,1H3;3-6H,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene?
2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene has a molecular weight of 1551.18 g/mol, XLogP of 27.64, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene is sourced from PubChem (CID 157476410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).