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

C14H11Br3O2 — CID 107955289

IUPAC(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Br)cc2Br)cc1Br
InChIInChI=1S/C14H11Br3O2/c1-19-13-5-2-8(6-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7,14,18H,1H3
InChIKeyLJEXZWHICLSZIK-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.06
Rot. Bonds3

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

(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol (PubChem CID 107955289) has the molecular formula C14H11Br3O2 and a molecular weight of 450.95 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
PubChem CID107955289
Molecular FormulaC14H11Br3O2
Molecular Weight450.95 g/mol
Exact Mass447.83
IUPAC Name(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Br)cc2Br)cc1Br
InChIInChI=1S/C14H11Br3O2/c1-19-13-5-2-8(6-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7,14,18H,1H3
InChIKeyLJEXZWHICLSZIK-UHFFFAOYSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(3-bromo-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107947925
(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432477
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61082273
(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61100656
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
CID 63438155
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 62660225

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol (CID 107955289) is (3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol is COc1ccc(C(O)c2ccc(Br)cc2Br)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol?
The InChIKey is LJEXZWHICLSZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3O2/c1-19-13-5-2-8(6-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol?
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol has a molecular weight of 450.95 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol is sourced from PubChem (CID 107955289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).