(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol

C15H13Br2ClO3 — CID 61086660

IUPAC(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(Br)c(C(O)c2ccc(Br)cc2Cl)cc1OC
InChIInChI=1S/C15H13Br2ClO3/c1-20-13-6-10(11(17)7-14(13)21-2)15(19)9-4-3-8(16)5-12(9)18/h3-7,15,19H,1-2H3
InChIKeyFCJIXGFKYFPGSJ-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.96
Rot. Bonds4

About (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol

(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol (PubChem CID 61086660) has the molecular formula C15H13Br2ClO3 and a molecular weight of 436.53 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
PubChem CID61086660
Molecular FormulaC15H13Br2ClO3
Molecular Weight436.53 g/mol
Exact Mass433.89
IUPAC Name(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(Br)c(C(O)c2ccc(Br)cc2Cl)cc1OC
InChIInChI=1S/C15H13Br2ClO3/c1-20-13-6-10(11(17)7-14(13)21-2)15(19)9-4-3-8(16)5-12(9)18/h3-7,15,19H,1-2H3
InChIKeyFCJIXGFKYFPGSJ-UHFFFAOYSA-N
XLogP4.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)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-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
CID 114374763
1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958777
(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 105057050
(4-bromo-2-methoxyphenyl)-(2-chloro-4-methoxyphenyl)methanol
CID 115369750
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61082589
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 61087950
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131
1-[bromo-(4-bromo-2-chlorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443430
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol?
The IUPAC name of (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol (CID 61086660) is (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol is COc1cc(Br)c(C(O)c2ccc(Br)cc2Cl)cc1OC.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol?
The InChIKey is FCJIXGFKYFPGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO3/c1-20-13-6-10(11(17)7-14(13)21-2)15(19)9-4-3-8(16)5-12(9)18/h3-7,15,19H,1-2H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol?
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol has a molecular weight of 436.53 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 61086660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).