2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene

C18H20S — CID 144536878

IUPAC2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2ccc(C3C=CC(C)CC3)s2)cc1
InChIInChI=1S/C18H20S/c1-13-3-7-15(8-4-13)17-11-12-18(19-17)16-9-5-14(2)6-10-16/h3-5,7-9,11-12,14,16H,6,10H2,1-2H3
InChIKeyFFPRFFYKBGKCCZ-UHFFFAOYSA-N
MW268.43 g/mol
LogP5.79
Rot. Bonds2

About 2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene

2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene (PubChem CID 144536878) has the molecular formula C18H20S and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene.

Molecular Properties

Compound Name2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene
PubChem CID144536878
Molecular FormulaC18H20S
Molecular Weight268.43 g/mol
Exact Mass268.13
IUPAC Name2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2ccc(C3C=CC(C)CC3)s2)cc1
InChIInChI=1S/C18H20S/c1-13-3-7-15(8-4-13)17-11-12-18(19-17)16-9-5-14(2)6-10-16/h3-5,7-9,11-12,14,16H,6,10H2,1-2H3
InChIKeyFFPRFFYKBGKCCZ-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.43
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene 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-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene
CID 23561398
2-(4-methylcyclohexa-1,5-dien-1-yl)-5-[4-[5-(4-methylphenyl)thiophen-2-yl]phenyl]thiophene
CID 142352355
2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene
CID 166999789
2-cyclohexa-2,4-dien-1-yl-5-phenylthiophene
CID 77475574
2-(4-bromophenyl)-5-(4-methylphenyl)thiophene
CID 174894366
2-cyclopentyl-5-[5-(4-isothiocyanatophenyl)thiophen-2-yl]thiophene
CID 178054372
4-methyl-N-[4-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 18513254
(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine
CID 155107146
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene
CID 163450086
2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene
CID 153380823
1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene
CID 143310420

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene?
The IUPAC name of 2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene (CID 144536878) is 2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene.
What is the SMILES notation for 2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene?
The canonical SMILES for 2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene is Cc1ccc(-c2ccc(C3C=CC(C)CC3)s2)cc1.
What is the InChIKey of 2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene?
The InChIKey is FFPRFFYKBGKCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20S/c1-13-3-7-15(8-4-13)17-11-12-18(19-17)16-9-5-14(2)6-10-16/h3-5,7-9,11-12,14,16H,6,10H2,1-2H3.
What are the key properties of 2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene?
2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene has a molecular weight of 268.43 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)thiophene is sourced from PubChem (CID 144536878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).