(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol

C13H14O2S — CID 115805659

IUPAC(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol
SMILESCOc1cc(C(O)c2ccsc2)ccc1C
InChIInChI=1S/C13H14O2S/c1-9-3-4-10(7-12(9)15-2)13(14)11-5-6-16-8-11/h3-8,13-14H,1-2H3
InChIKeyWLNAKJATZVMICY-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.15
Rot. Bonds3

About (3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol

(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol (PubChem CID 115805659) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol
PubChem CID115805659
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol
SMILESCOc1cc(C(O)c2ccsc2)ccc1C
InChIInChI=1S/C13H14O2S/c1-9-3-4-10(7-12(9)15-2)13(14)11-5-6-16-8-11/h3-8,13-14H,1-2H3
InChIKeyWLNAKJATZVMICY-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol 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

(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293171
(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293168
(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
CID 65099500
N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988346
(3,4-dichlorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 61081399
(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 65296943
(R)-(2-methoxyphenyl)-thiophen-3-ylmethanol
CID 93312294
(3,4-diethylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115482617
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115823139
(2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol
CID 61081785
(2-methoxy-3,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 103435788
(3-bromo-5-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methanol
CID 65278221

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol?
The IUPAC name of (3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol (CID 115805659) is (3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol?
The canonical SMILES for (3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol is COc1cc(C(O)c2ccsc2)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol?
The InChIKey is WLNAKJATZVMICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S/c1-9-3-4-10(7-12(9)15-2)13(14)11-5-6-16-8-11/h3-8,13-14H,1-2H3.
What are the key properties of (3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol?
(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol has a molecular weight of 234.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol is sourced from PubChem (CID 115805659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).