(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol

C14H10Br3ClO2 — CID 107955298

IUPAC(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br3ClO2/c1-20-14-10(5-8(18)6-12(14)17)13(19)9-3-2-7(15)4-11(9)16/h2-6,13,19H,1H3
InChIKeyGSLCDXXKTFLPJL-UHFFFAOYSA-N
MW485.40 g/mol
LogP5.72
Rot. Bonds3

About (3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol

(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol (PubChem CID 107955298) has the molecular formula C14H10Br3ClO2 and a molecular weight of 485.40 g/mol. Its IUPAC name is (3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
PubChem CID107955298
Molecular FormulaC14H10Br3ClO2
Molecular Weight485.40 g/mol
Exact Mass481.79
IUPAC Name(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br3ClO2/c1-20-14-10(5-8(18)6-12(14)17)13(19)9-3-2-7(15)4-11(9)16/h2-6,13,19H,1H3
InChIKeyGSLCDXXKTFLPJL-UHFFFAOYSA-N
XLogP5.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.40
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435954
(3-bromo-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107947925
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61100155
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene
CID 106862986
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
(5-bromo-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanol
CID 61081523
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80642254
(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol
CID 114024842
(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
CID 61100157
1-bromo-3-[2-(4-bromophenyl)-1-chloroethyl]-5-chloro-2-methoxybenzene
CID 63430608

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol?
The IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol (CID 107955298) is (3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol.
What is the SMILES notation for (3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol?
The canonical SMILES for (3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol is COc1c(Br)cc(Cl)cc1C(O)c1ccc(Br)cc1Br.
What is the InChIKey of (3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol?
The InChIKey is GSLCDXXKTFLPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3ClO2/c1-20-14-10(5-8(18)6-12(14)17)13(19)9-3-2-7(15)4-11(9)16/h2-6,13,19H,1H3.
What are the key properties of (3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol?
(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol has a molecular weight of 485.40 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol is sourced from PubChem (CID 107955298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).