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

C15H14BrClO3 — CID 115566318

IUPAC(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Cl)c(Br)c2)c(OC)c1
InChIInChI=1S/C15H14BrClO3/c1-19-10-4-5-11(14(8-10)20-2)15(18)9-3-6-13(17)12(16)7-9/h3-8,15,18H,1-2H3
InChIKeyXLPNILDZRUCLBZ-UHFFFAOYSA-N
MW357.63 g/mol
LogP4.20
Rot. Bonds4

About (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol

(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol (PubChem CID 115566318) has the molecular formula C15H14BrClO3 and a molecular weight of 357.63 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol
PubChem CID115566318
Molecular FormulaC15H14BrClO3
Molecular Weight357.63 g/mol
Exact Mass355.98
IUPAC Name(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Cl)c(Br)c2)c(OC)c1
InChIInChI=1S/C15H14BrClO3/c1-19-10-4-5-11(14(8-10)20-2)15(18)9-3-6-13(17)12(16)7-9/h3-8,15,18H,1-2H3
InChIKeyXLPNILDZRUCLBZ-UHFFFAOYSA-N
XLogP4.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103395113
(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82768889
(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 116809848
(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 114329901
(4-bromo-2-methoxyphenyl)-(2-chloro-4-methoxyphenyl)methanol
CID 115369750
(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432694
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(2,4-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802132
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 61087950

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol (CID 115566318) is (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol is COc1ccc(C(O)c2ccc(Cl)c(Br)c2)c(OC)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol?
The InChIKey is XLPNILDZRUCLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO3/c1-19-10-4-5-11(14(8-10)20-2)15(18)9-3-6-13(17)12(16)7-9/h3-8,15,18H,1-2H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol?
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol has a molecular weight of 357.63 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 115566318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).