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

C15H17ClO4S — CID 102764533

IUPAC(5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2cc(C)c(Cl)s2)cc(OC)c1OC
InChIInChI=1S/C15H17ClO4S/c1-8-5-12(21-15(8)16)13(17)9-6-10(18-2)14(20-4)11(7-9)19-3/h5-7,13,17H,1-4H3
InChIKeyRIQQLRCAHFZFRO-UHFFFAOYSA-N
MW328.82 g/mol
LogP3.82
Rot. Bonds5

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

(5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 102764533) has the molecular formula C15H17ClO4S and a molecular weight of 328.82 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol
PubChem CID102764533
Molecular FormulaC15H17ClO4S
Molecular Weight328.82 g/mol
Exact Mass328.05
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2cc(C)c(Cl)s2)cc(OC)c1OC
InChIInChI=1S/C15H17ClO4S/c1-8-5-12(21-15(8)16)13(17)9-6-10(18-2)14(20-4)11(7-9)19-3/h5-7,13,17H,1-4H3
InChIKeyRIQQLRCAHFZFRO-UHFFFAOYSA-N
XLogP3.82
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102764426
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 102764444
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764385
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol
CID 102764365
(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099476
5-[bromo-(2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764907
N-[(5-chloro-4-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methyl]propan-1-amine
CID 102764059
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679800
(2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 15147552

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol (CID 102764533) is (5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol is COc1cc(C(O)c2cc(C)c(Cl)s2)cc(OC)c1OC.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is RIQQLRCAHFZFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO4S/c1-8-5-12(21-15(8)16)13(17)9-6-10(18-2)14(20-4)11(7-9)19-3/h5-7,13,17H,1-4H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol?
(5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 328.82 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 102764533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).