[2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol

C13H14O2S — CID 172650126

IUPAC[2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol
SMILESCOc1ccc(-c2cc(C)cs2)cc1CO
InChIInChI=1S/C13H14O2S/c1-9-5-13(16-8-9)10-3-4-12(15-2)11(6-10)7-14/h3-6,8,14H,7H2,1-2H3
InChIKeyUSROEHJESZTMOM-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.22
Rot. Bonds3

About [2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol

[2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol (PubChem CID 172650126) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is [2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol
PubChem CID172650126
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name[2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol
SMILESCOc1ccc(-c2cc(C)cs2)cc1CO
InChIInChI=1S/C13H14O2S/c1-9-5-13(16-8-9)10-3-4-12(15-2)11(6-10)7-14/h3-6,8,14H,7H2,1-2H3
InChIKeyUSROEHJESZTMOM-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol
CID 172650096
2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde
CID 172650125
5-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)benzoic acid
CID 172650133
[3-(hydroxymethyl)-4-methoxyphenyl]methylboronic acid
CID 174806441
(2-(111C)methoxyphenyl)methanol
CID 59897789
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
(5-ethoxy-2-methoxyphenyl)methanol
CID 82643938
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
N-[[2-methoxy-5-(5-methylthiophen-3-yl)phenyl]methyl]propan-1-amine
CID 65099654
1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone
CID 58615731
2-chloro-4-(4-methylthiophen-2-yl)benzoic acid
CID 53445529
[2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol
CID 47000020

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol?
The IUPAC name of [2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol (CID 172650126) is [2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol.
What is the SMILES notation for [2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol?
The canonical SMILES for [2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol is COc1ccc(-c2cc(C)cs2)cc1CO.
What is the InChIKey of [2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol?
The InChIKey is USROEHJESZTMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S/c1-9-5-13(16-8-9)10-3-4-12(15-2)11(6-10)7-14/h3-6,8,14H,7H2,1-2H3.
What are the key properties of [2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol?
[2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol has a molecular weight of 234.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol is sourced from PubChem (CID 172650126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).