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

C15H17ClO4S — CID 102764426

IUPAC(5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)c(Cl)s2)c(OC)c1OC
InChIInChI=1S/C15H17ClO4S/c1-8-7-11(21-15(8)16)12(17)9-5-6-10(18-2)14(20-4)13(9)19-3/h5-7,12,17H,1-4H3
InChIKeyXIZOUQFBCRXVEQ-UHFFFAOYSA-N
MW328.82 g/mol
LogP3.82
Rot. Bonds5

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

(5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol (PubChem CID 102764426) has the molecular formula C15H17ClO4S and a molecular weight of 328.82 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
PubChem CID102764426
Molecular FormulaC15H17ClO4S
Molecular Weight328.82 g/mol
Exact Mass328.05
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)c(Cl)s2)c(OC)c1OC
InChIInChI=1S/C15H17ClO4S/c1-8-7-11(21-15(8)16)12(17)9-5-6-10(18-2)14(20-4)13(9)19-3/h5-7,12,17H,1-4H3
InChIKeyXIZOUQFBCRXVEQ-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)-(3,4,5-trimethoxyphenyl)methanol
CID 102764533
(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 61099992
(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol
CID 79998988
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432747
2-bromo-5-[chloro-(2,3,4-trimethoxyphenyl)methyl]-3-methylthiophene
CID 79999407
(2,3,4-trimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol
CID 10570762
(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102764416
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102829172
5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764921
(5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine
CID 102763414
5-[bromo-(2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764907
(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764402

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol (CID 102764426) is (5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol is COc1ccc(C(O)c2cc(C)c(Cl)s2)c(OC)c1OC.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol?
The InChIKey is XIZOUQFBCRXVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO4S/c1-8-7-11(21-15(8)16)12(17)9-5-6-10(18-2)14(20-4)13(9)19-3/h5-7,12,17H,1-4H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol?
(5-chloro-4-methylthiophen-2-yl)-(2,3,4-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)-(2,3,4-trimethoxyphenyl)methanol is sourced from PubChem (CID 102764426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).