(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol

C14H15ClO2S — CID 103404367

IUPAC(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol
SMILESCOc1ccc(C)cc1C(O)c1scc(C)c1Cl
InChIInChI=1S/C14H15ClO2S/c1-8-4-5-11(17-3)10(6-8)13(16)14-12(15)9(2)7-18-14/h4-7,13,16H,1-3H3
InChIKeyZMAYGWSOZMTHRQ-UHFFFAOYSA-N
MW282.79 g/mol
LogP4.11
Rot. Bonds3

About (3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol

(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol (PubChem CID 103404367) has the molecular formula C14H15ClO2S and a molecular weight of 282.79 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol
PubChem CID103404367
Molecular FormulaC14H15ClO2S
Molecular Weight282.79 g/mol
Exact Mass282.05
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol
SMILESCOc1ccc(C)cc1C(O)c1scc(C)c1Cl
InChIInChI=1S/C14H15ClO2S/c1-8-4-5-11(17-3)10(6-8)13(16)14-12(15)9(2)7-18-14/h4-7,13,16H,1-3H3
InChIKeyZMAYGWSOZMTHRQ-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103404478
N-[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 103401002
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol
CID 103408157
(2-methoxy-5-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 62503375
(2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 81045703
(S)-(2-methoxy-5-methylphenyl)-pyridin-2-ylmethanol
CID 94605501
(2-chloro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 104817103
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 103405432
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628
(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 103404237
(2-chloro-4-fluorophenyl)-(2-methoxy-5-methylphenyl)methanol
CID 61080374
(4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 63899302

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol (CID 103404367) is (3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol is COc1ccc(C)cc1C(O)c1scc(C)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol?
The InChIKey is ZMAYGWSOZMTHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2S/c1-8-4-5-11(17-3)10(6-8)13(16)14-12(15)9(2)7-18-14/h4-7,13,16H,1-3H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol?
(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol has a molecular weight of 282.79 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol is sourced from PubChem (CID 103404367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).