(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol

C14H11BrCl2O2 — CID 61099475

IUPAC(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11BrCl2O2/c1-19-14-11(6-10(17)7-12(14)15)13(18)8-2-4-9(16)5-3-8/h2-7,13,18H,1H3
InChIKeyAALRSXCFCFDKRE-UHFFFAOYSA-N
MW362.05 g/mol
LogP4.85
Rot. Bonds3

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

(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol (PubChem CID 61099475) has the molecular formula C14H11BrCl2O2 and a molecular weight of 362.05 g/mol. Its IUPAC name is (3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
PubChem CID61099475
Molecular FormulaC14H11BrCl2O2
Molecular Weight362.05 g/mol
Exact Mass359.93
IUPAC Name(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11BrCl2O2/c1-19-14-11(6-10(17)7-12(14)15)13(18)8-2-4-9(16)5-3-8/h2-7,13,18H,1H3
InChIKeyAALRSXCFCFDKRE-UHFFFAOYSA-N
XLogP4.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
CID 43110728
(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955298
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 62199956
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435996
1-bromo-3-[bromo-(3,4-difluorophenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435640
(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288247
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80642254
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61100155
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
CID 61099300

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol?
The IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol (CID 61099475) is (3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol.
What is the SMILES notation for (3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol?
The canonical SMILES for (3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol is COc1c(Br)cc(Cl)cc1C(O)c1ccc(Cl)cc1.
What is the InChIKey of (3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol?
The InChIKey is AALRSXCFCFDKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O2/c1-19-14-11(6-10(17)7-12(14)15)13(18)8-2-4-9(16)5-3-8/h2-7,13,18H,1H3.
What are the key properties of (3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol?
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol has a molecular weight of 362.05 g/mol, XLogP of 4.85, 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)-(4-chlorophenyl)methanol is sourced from PubChem (CID 61099475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).