(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol

C15H13Br3O2 — CID 107980758

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
SMILESCOc1cc(C)c(Br)cc1C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br3O2/c1-8-3-14(20-2)12(7-13(8)18)15(19)9-4-10(16)6-11(17)5-9/h3-7,15,19H,1-2H3
InChIKeySINXLMUMQMADIA-UHFFFAOYSA-N
MW464.98 g/mol
LogP5.37
Rot. Bonds3

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

(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol (PubChem CID 107980758) has the molecular formula C15H13Br3O2 and a molecular weight of 464.98 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
PubChem CID107980758
Molecular FormulaC15H13Br3O2
Molecular Weight464.98 g/mol
Exact Mass461.85
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
SMILESCOc1cc(C)c(Br)cc1C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br3O2/c1-8-3-14(20-2)12(7-13(8)18)15(19)9-4-10(16)6-11(17)5-9/h3-7,15,19H,1-2H3
InChIKeySINXLMUMQMADIA-UHFFFAOYSA-N
XLogP5.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.98
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol
CID 79217222
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
CID 65432012
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107955776
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
CID 65433362
(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
CID 65434718
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
CID 65432204
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780
1-bromo-5-[bromo-(3-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432224
1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65433369
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol
CID 107978790
(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 107978788

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol (CID 107980758) is (5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol is COc1cc(C)c(Br)cc1C(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol?
The InChIKey is SINXLMUMQMADIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3O2/c1-8-3-14(20-2)12(7-13(8)18)15(19)9-4-10(16)6-11(17)5-9/h3-7,15,19H,1-2H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol?
(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol has a molecular weight of 464.98 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol is sourced from PubChem (CID 107980758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).