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

C14H14Cl2O3S — CID 103404478

IUPAC(3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol
SMILESCOc1ccc(C(O)c2scc(C)c2Cl)c(OC)c1Cl
InChIInChI=1S/C14H14Cl2O3S/c1-7-6-20-14(10(7)15)12(17)8-4-5-9(18-2)11(16)13(8)19-3/h4-6,12,17H,1-3H3
InChIKeyAFSZVLZPIUXDAA-UHFFFAOYSA-N
MW333.24 g/mol
LogP4.46
Rot. Bonds4

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

(3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol (PubChem CID 103404478) has the molecular formula C14H14Cl2O3S and a molecular weight of 333.24 g/mol. Its IUPAC name is (3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol
PubChem CID103404478
Molecular FormulaC14H14Cl2O3S
Molecular Weight333.24 g/mol
Exact Mass332.00
IUPAC Name(3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol
SMILESCOc1ccc(C(O)c2scc(C)c2Cl)c(OC)c1Cl
InChIInChI=1S/C14H14Cl2O3S/c1-7-6-20-14(10(7)15)12(17)8-4-5-9(18-2)11(16)13(8)19-3/h4-6,12,17H,1-3H3
InChIKeyAFSZVLZPIUXDAA-UHFFFAOYSA-N
XLogP4.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103401428
(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol
CID 103404367
[(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
CID 103524729
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol
CID 103408157
(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 103404237
(3-chloro-4-methylthiophen-2-yl)-isoquinolin-5-ylmethanol
CID 103407962
(5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102764426
N-[(5-bromothiophen-3-yl)-(3-chloro-2,4-dimethoxyphenyl)methyl]ethanamine
CID 107961375
N-[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 103401002
(4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol
CID 79596576
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102829172
(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 61099992

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The IUPAC name of (3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol (CID 103404478) is (3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol.
What is the SMILES notation for (3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The canonical SMILES for (3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol is COc1ccc(C(O)c2scc(C)c2Cl)c(OC)c1Cl.
What is the InChIKey of (3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The InChIKey is AFSZVLZPIUXDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O3S/c1-7-6-20-14(10(7)15)12(17)8-4-5-9(18-2)11(16)13(8)19-3/h4-6,12,17H,1-3H3.
What are the key properties of (3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol?
(3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol has a molecular weight of 333.24 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol is sourced from PubChem (CID 103404478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).