(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol

C15H13Br3O3 — CID 107978790

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol
SMILESCOc1ccc(C(O)c2cc(Br)cc(Br)c2)c(OC)c1Br
InChIInChI=1S/C15H13Br3O3/c1-20-12-4-3-11(15(21-2)13(12)18)14(19)8-5-9(16)7-10(17)6-8/h3-7,14,19H,1-2H3
InChIKeyPESBYYWNEWMCSA-UHFFFAOYSA-N
MW480.98 g/mol
LogP5.07
Rot. Bonds4

About (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol

(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol (PubChem CID 107978790) has the molecular formula C15H13Br3O3 and a molecular weight of 480.98 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol
PubChem CID107978790
Molecular FormulaC15H13Br3O3
Molecular Weight480.98 g/mol
Exact Mass477.84
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol
SMILESCOc1ccc(C(O)c2cc(Br)cc(Br)c2)c(OC)c1Br
InChIInChI=1S/C15H13Br3O3/c1-20-12-4-3-11(15(21-2)13(12)18)14(19)8-5-9(16)7-10(17)6-8/h3-7,14,19H,1-2H3
InChIKeyPESBYYWNEWMCSA-UHFFFAOYSA-N
XLogP5.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.98
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107947925
(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 107978788
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol
CID 103522944
(2,3,4-trimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol
CID 10570762
(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
CID 107980758
(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 103524545
(5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol
CID 103523206
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid
CID 84814609
(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432477
1-(3-bromo-2,4-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 103523197
(4S)-4-(3-bromo-2,4-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 114207364

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol (CID 107978790) is (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol is COc1ccc(C(O)c2cc(Br)cc(Br)c2)c(OC)c1Br.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol?
The InChIKey is PESBYYWNEWMCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3O3/c1-20-12-4-3-11(15(21-2)13(12)18)14(19)8-5-9(16)7-10(17)6-8/h3-7,14,19H,1-2H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol?
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol has a molecular weight of 480.98 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol is sourced from PubChem (CID 107978790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).