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

C15H13Br2ClO3 — CID 107955776

IUPAC(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2cc(Cl)cc(Br)c2)c(OC)cc1Br
InChIInChI=1S/C15H13Br2ClO3/c1-20-13-7-12(17)14(21-2)6-11(13)15(19)8-3-9(16)5-10(18)4-8/h3-7,15,19H,1-2H3
InChIKeyVICHKFNKYJGKAH-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.96
Rot. Bonds4

About (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol

(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol (PubChem CID 107955776) has the molecular formula C15H13Br2ClO3 and a molecular weight of 436.53 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
PubChem CID107955776
Molecular FormulaC15H13Br2ClO3
Molecular Weight436.53 g/mol
Exact Mass433.89
IUPAC Name(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2cc(Cl)cc(Br)c2)c(OC)cc1Br
InChIInChI=1S/C15H13Br2ClO3/c1-20-13-7-12(17)14(21-2)6-11(13)15(19)8-3-9(16)5-10(18)4-8/h3-7,15,19H,1-2H3
InChIKeyVICHKFNKYJGKAH-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

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 105057119
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 105057040
1-bromo-4-[bromo-(3,5-dichlorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057429
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
CID 107980758
(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 105057050
(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 107947631
(2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol
CID 61088517
(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 105057045
(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol
CID 105057027
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61081002
(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol
CID 105057022

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol (CID 107955776) is (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol is COc1cc(C(O)c2cc(Cl)cc(Br)c2)c(OC)cc1Br.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol?
The InChIKey is VICHKFNKYJGKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO3/c1-20-13-7-12(17)14(21-2)6-11(13)15(19)8-3-9(16)5-10(18)4-8/h3-7,15,19H,1-2H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol?
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-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 (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 107955776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).