(S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol

C13H14O2S — CID 40535084

IUPAC(S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
SMILESCOc1ccc([C@H](O)c2ccc(C)s2)cc1
InChIInChI=1S/C13H14O2S/c1-9-3-8-12(16-9)13(14)10-4-6-11(15-2)7-5-10/h3-8,13-14H,1-2H3/t13-/m0/s1
InChIKeyXWAYUWSSWOPKMQ-ZDUSSCGKSA-N
MW234.32 g/mol
LogP3.15
Rot. Bonds3

About (S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol

(S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol (PubChem CID 40535084) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is (S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
PubChem CID40535084
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name(S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
SMILESCOc1ccc([C@H](O)c2ccc(C)s2)cc1
InChIInChI=1S/C13H14O2S/c1-9-3-8-12(16-9)13(14)10-4-6-11(15-2)7-5-10/h3-8,13-14H,1-2H3/t13-/m0/s1
InChIKeyXWAYUWSSWOPKMQ-ZDUSSCGKSA-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

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Related Compounds

(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol
CID 61089121
(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
CID 81284648
methyl (2S,3R)-2-amino-3-(4-methoxyphenyl)-3-(5-methylthiophen-2-yl)propanoate
CID 102288966
[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]-(4-methoxyphenyl)methanol
CID 141159898
(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 61099992
(4-methoxyphenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methanol
CID 102321313
(5-methylthiophen-2-yl)-(5-methylthiophen-3-yl)methanol
CID 65099731
(3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol
CID 105066346
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998
methyl 3-(4-methoxyphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241124
(S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol
CID 97001534
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815

Frequently Asked Questions

What is the IUPAC name of (S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol?
The IUPAC name of (S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol (CID 40535084) is (S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for (S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for (S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol is COc1ccc([C@H](O)c2ccc(C)s2)cc1.
What is the InChIKey of (S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol?
The InChIKey is XWAYUWSSWOPKMQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14O2S/c1-9-3-8-12(16-9)13(14)10-4-6-11(15-2)7-5-10/h3-8,13-14H,1-2H3/t13-/m0/s1.
What are the key properties of (S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol?
(S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol 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 (S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 40535084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).