(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol

C14H15ClO3S — CID 103408157

IUPAC(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2scc(C)c2Cl)c1
InChIInChI=1S/C14H15ClO3S/c1-8-7-19-14(12(8)15)13(16)9-4-10(17-2)6-11(5-9)18-3/h4-7,13,16H,1-3H3
InChIKeyWBLNYDZGHWUQEV-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.81
Rot. Bonds4

About (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol

(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol (PubChem CID 103408157) has the molecular formula C14H15ClO3S and a molecular weight of 298.79 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol
PubChem CID103408157
Molecular FormulaC14H15ClO3S
Molecular Weight298.79 g/mol
Exact Mass298.04
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2scc(C)c2Cl)c1
InChIInChI=1S/C14H15ClO3S/c1-8-7-19-14(12(8)15)13(16)9-4-10(17-2)6-11(5-9)18-3/h4-7,13,16H,1-3H3
InChIKeyWBLNYDZGHWUQEV-UHFFFAOYSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 103404237
(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol
CID 103408210
(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol
CID 103404367
2-[bromo-(2,6-difluoro-4-methoxyphenyl)methyl]-3-chloro-4-methylthiophene
CID 103404628
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 103407834
(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638
[(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 103408381
(3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103404478
5-[(3-chloro-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 103404288
(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 103404428
(3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 103408312
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol (CID 103408157) is (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol is COc1cc(OC)cc(C(O)c2scc(C)c2Cl)c1.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol?
The InChIKey is WBLNYDZGHWUQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3S/c1-8-7-19-14(12(8)15)13(16)9-4-10(17-2)6-11(5-9)18-3/h4-7,13,16H,1-3H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol?
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol has a molecular weight of 298.79 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 103408157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).