(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol

C13H13ClO3S — CID 80529656

IUPAC(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1sccc1Cl
InChIInChI=1S/C13H13ClO3S/c1-16-9-4-3-5-10(17-2)11(9)12(15)13-8(14)6-7-18-13/h3-7,12,15H,1-2H3
InChIKeyOMCATDCTKOGPTH-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.50
Rot. Bonds4

About (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol

(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol (PubChem CID 80529656) has the molecular formula C13H13ClO3S and a molecular weight of 284.76 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
PubChem CID80529656
Molecular FormulaC13H13ClO3S
Molecular Weight284.76 g/mol
Exact Mass284.03
IUPAC Name(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1sccc1Cl
InChIInChI=1S/C13H13ClO3S/c1-16-9-4-3-5-10(17-2)11(9)12(15)13-8(14)6-7-18-13/h3-7,12,15H,1-2H3
InChIKeyOMCATDCTKOGPTH-UHFFFAOYSA-N
XLogP3.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene
CID 80530505
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol
CID 102829422
(3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 80530151
1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol
CID 104817073
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone
CID 80530097
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80642254
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 80530112
(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol
CID 80530245
(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 116809848
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530211

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol (CID 80529656) is (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol is COc1cccc(OC)c1C(O)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol?
The InChIKey is OMCATDCTKOGPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO3S/c1-16-9-4-3-5-10(17-2)11(9)12(15)13-8(14)6-7-18-13/h3-7,12,15H,1-2H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol?
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol has a molecular weight of 284.76 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 80529656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).