(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol

C15H13Br2FO2 — CID 107983417

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol
SMILESCOc1cc(F)c(Br)cc1C(O)c1cccc(C)c1Br
InChIInChI=1S/C15H13Br2FO2/c1-8-4-3-5-9(14(8)17)15(19)10-6-11(16)12(18)7-13(10)20-2/h3-7,15,19H,1-2H3
InChIKeyLQJNPNHLNGSFGN-UHFFFAOYSA-N
MW404.07 g/mol
LogP4.75
Rot. Bonds3

About (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol

(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol (PubChem CID 107983417) has the molecular formula C15H13Br2FO2 and a molecular weight of 404.07 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol
PubChem CID107983417
Molecular FormulaC15H13Br2FO2
Molecular Weight404.07 g/mol
Exact Mass401.93
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol
SMILESCOc1cc(F)c(Br)cc1C(O)c1cccc(C)c1Br
InChIInChI=1S/C15H13Br2FO2/c1-8-4-3-5-9(14(8)17)15(19)10-6-11(16)12(18)7-13(10)20-2/h3-7,15,19H,1-2H3
InChIKeyLQJNPNHLNGSFGN-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.07
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983413
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
CID 65432204
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
CID 65432012
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
CID 103396097
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
1-bromo-5-[chloro-(2,3-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396266
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
CID 103396069
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol
CID 103396042
(5-bromo-4-fluoro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 103395986
(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81479752

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol (CID 107983417) is (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol is COc1cc(F)c(Br)cc1C(O)c1cccc(C)c1Br.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol?
The InChIKey is LQJNPNHLNGSFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO2/c1-8-4-3-5-9(14(8)17)15(19)10-6-11(16)12(18)7-13(10)20-2/h3-7,15,19H,1-2H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol?
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol has a molecular weight of 404.07 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol is sourced from PubChem (CID 107983417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).