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

C15H14Br2O3 — CID 115369701

IUPAC(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Br)cc2OC)cc1Br
InChIInChI=1S/C15H14Br2O3/c1-19-13-6-3-9(7-12(13)17)15(18)11-5-4-10(16)8-14(11)20-2/h3-8,15,18H,1-2H3
InChIKeyGCJPUCWUYNGGSD-UHFFFAOYSA-N
MW402.08 g/mol
LogP4.31
Rot. Bonds4

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

(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol (PubChem CID 115369701) has the molecular formula C15H14Br2O3 and a molecular weight of 402.08 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
PubChem CID115369701
Molecular FormulaC15H14Br2O3
Molecular Weight402.08 g/mol
Exact Mass399.93
IUPAC Name(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Br)cc2OC)cc1Br
InChIInChI=1S/C15H14Br2O3/c1-19-13-6-3-9(7-12(13)17)15(18)11-5-4-10(16)8-14(11)20-2/h3-8,15,18H,1-2H3
InChIKeyGCJPUCWUYNGGSD-UHFFFAOYSA-N
XLogP4.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.08
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(4-bromo-2-methoxyphenyl)-(4-butan-2-ylphenyl)methanol
CID 115369721
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 115369706
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
CID 63438155
(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

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol (CID 115369701) is (3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol is COc1ccc(C(O)c2ccc(Br)cc2OC)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol?
The InChIKey is GCJPUCWUYNGGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O3/c1-19-13-6-3-9(7-12(13)17)15(18)11-5-4-10(16)8-14(11)20-2/h3-8,15,18H,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol?
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol has a molecular weight of 402.08 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol is sourced from PubChem (CID 115369701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).