(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol

C14H12BrClO2 — CID 114976791

IUPAC(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cccc(Br)c2Cl)c1
InChIInChI=1S/C14H12BrClO2/c1-18-10-5-2-4-9(8-10)14(17)11-6-3-7-12(15)13(11)16/h2-8,14,17H,1H3
InChIKeyDJHVOZDONXGHTN-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.19
Rot. Bonds3

About (3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol

(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol (PubChem CID 114976791) has the molecular formula C14H12BrClO2 and a molecular weight of 327.61 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol
PubChem CID114976791
Molecular FormulaC14H12BrClO2
Molecular Weight327.61 g/mol
Exact Mass325.97
IUPAC Name(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cccc(Br)c2Cl)c1
InChIInChI=1S/C14H12BrClO2/c1-18-10-5-2-4-9(8-10)14(17)11-6-3-7-12(15)13(11)16/h2-8,14,17H,1H3
InChIKeyDJHVOZDONXGHTN-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824
(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838478
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 105057045
(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanol
CID 174438652
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(2-ethylphenyl)-(3-methoxyphenyl)methanol
CID 63900317
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
(3-methoxyphenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985249
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol?
The IUPAC name of (3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol (CID 114976791) is (3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol is COc1cccc(C(O)c2cccc(Br)c2Cl)c1.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol?
The InChIKey is DJHVOZDONXGHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2/c1-18-10-5-2-4-9(8-10)14(17)11-6-3-7-12(15)13(11)16/h2-8,14,17H,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol?
(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol has a molecular weight of 327.61 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol is sourced from PubChem (CID 114976791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).