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

C14H11BrCl2O2 — CID 107947631

IUPAC(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2cc(Cl)cc(Br)c2)ccc1Cl
InChIInChI=1S/C14H11BrCl2O2/c1-19-13-6-8(2-3-12(13)17)14(18)9-4-10(15)7-11(16)5-9/h2-7,14,18H,1H3
InChIKeyPSLVWRXYPZWJTN-UHFFFAOYSA-N
MW362.05 g/mol
LogP4.85
Rot. Bonds3

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

(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol (PubChem CID 107947631) has the molecular formula C14H11BrCl2O2 and a molecular weight of 362.05 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol
PubChem CID107947631
Molecular FormulaC14H11BrCl2O2
Molecular Weight362.05 g/mol
Exact Mass359.93
IUPAC Name(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2cc(Cl)cc(Br)c2)ccc1Cl
InChIInChI=1S/C14H11BrCl2O2/c1-19-13-6-8(2-3-12(13)17)14(18)9-4-10(15)7-11(16)5-9/h2-7,14,18H,1H3
InChIKeyPSLVWRXYPZWJTN-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

(4-chloro-3-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 115818074
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 79697124
(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 81437123
(4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol
CID 79699607
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol
CID 107947461
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107955776
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 115818011
(3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 107978749
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324307
(3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107945621
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol (CID 107947631) is (3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol is COc1cc(C(O)c2cc(Cl)cc(Br)c2)ccc1Cl.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol?
The InChIKey is PSLVWRXYPZWJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O2/c1-19-13-6-8(2-3-12(13)17)14(18)9-4-10(15)7-11(16)5-9/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol?
(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)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-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol is sourced from PubChem (CID 107947631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).