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

C15H13Br2ClO3 — CID 105057050

IUPAC(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2cc(Br)ccc2Cl)c(OC)cc1Br
InChIInChI=1S/C15H13Br2ClO3/c1-20-13-7-11(17)14(21-2)6-10(13)15(19)9-5-8(16)3-4-12(9)18/h3-7,15,19H,1-2H3
InChIKeyODHOGBMLJIOYPV-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.96
Rot. Bonds4

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

(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol (PubChem CID 105057050) has the molecular formula C15H13Br2ClO3 and a molecular weight of 436.53 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
PubChem CID105057050
Molecular FormulaC15H13Br2ClO3
Molecular Weight436.53 g/mol
Exact Mass433.89
IUPAC Name(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2cc(Br)ccc2Cl)c(OC)cc1Br
InChIInChI=1S/C15H13Br2ClO3/c1-20-13-7-11(17)14(21-2)6-10(13)15(19)9-5-8(16)3-4-12(9)18/h3-7,15,19H,1-2H3
InChIKeyODHOGBMLJIOYPV-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

(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
CID 114374763
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol
CID 105057027
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(5-bromo-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanol
CID 61081523
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
CID 61086660
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-2-methylphenyl)methanol
CID 107098959
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082254
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107955776

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol (CID 105057050) is (5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol is COc1cc(C(O)c2cc(Br)ccc2Cl)c(OC)cc1Br.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol?
The InChIKey is ODHOGBMLJIOYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO3/c1-20-13-7-11(17)14(21-2)6-10(13)15(19)9-5-8(16)3-4-12(9)18/h3-7,15,19H,1-2H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol?
(5-bromo-2-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 (5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 105057050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).