(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol

C12H9BrCl2O2S — CID 80642254

IUPAC(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)c1sccc1Cl
InChIInChI=1S/C12H9BrCl2O2S/c1-17-11-7(4-6(14)5-8(11)13)10(16)12-9(15)2-3-18-12/h2-5,10,16H,1H3
InChIKeyAHCMGPCYIUMKEV-UHFFFAOYSA-N
MW368.08 g/mol
LogP4.91
Rot. Bonds3

About (3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol

(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol (PubChem CID 80642254) has the molecular formula C12H9BrCl2O2S and a molecular weight of 368.08 g/mol. Its IUPAC name is (3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
PubChem CID80642254
Molecular FormulaC12H9BrCl2O2S
Molecular Weight368.08 g/mol
Exact Mass365.89
IUPAC Name(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)c1sccc1Cl
InChIInChI=1S/C12H9BrCl2O2S/c1-17-11-7(4-6(14)5-8(11)13)10(16)12-9(15)2-3-18-12/h2-5,10,16H,1H3
InChIKeyAHCMGPCYIUMKEV-UHFFFAOYSA-N
XLogP4.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.08
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 107359087
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
2-[bromo-(3-bromo-5-chloro-2-methoxyphenyl)methyl]-3-ethylthiophene
CID 79975170
(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955298
(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
CID 115820110
(5-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355
(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644142
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
CID 102834578
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530211
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61100155

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol?
The IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol (CID 80642254) is (3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol?
The canonical SMILES for (3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol is COc1c(Br)cc(Cl)cc1C(O)c1sccc1Cl.
What is the InChIKey of (3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol?
The InChIKey is AHCMGPCYIUMKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2O2S/c1-17-11-7(4-6(14)5-8(11)13)10(16)12-9(15)2-3-18-12/h2-5,10,16H,1H3.
What are the key properties of (3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol?
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol has a molecular weight of 368.08 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 80642254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).