[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol

C15H13BrF2O2 — CID 115962216

IUPAC[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCc1cccc(F)c1F
InChIInChI=1S/C15H13BrF2O2/c1-9-5-12(16)6-11(7-19)15(9)20-8-10-3-2-4-13(17)14(10)18/h2-6,19H,7-8H2,1H3
InChIKeyORFULDYHTOADCH-UHFFFAOYSA-N
MW343.17 g/mol
LogP4.11
Rot. Bonds4

About [5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol

[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol (PubChem CID 115962216) has the molecular formula C15H13BrF2O2 and a molecular weight of 343.17 g/mol. Its IUPAC name is [5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol
PubChem CID115962216
Molecular FormulaC15H13BrF2O2
Molecular Weight343.17 g/mol
Exact Mass342.01
IUPAC Name[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCc1cccc(F)c1F
InChIInChI=1S/C15H13BrF2O2/c1-9-5-12(16)6-11(7-19)15(9)20-8-10-3-2-4-13(17)14(10)18/h2-6,19H,7-8H2,1H3
InChIKeyORFULDYHTOADCH-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962142
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
CID 112614225
[5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 115962124
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 104791340
[5-bromo-2-[2-(3-bromophenoxy)ethoxy]-3-methylphenyl]methanol
CID 115962143
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613188
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944
[2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112612374
[5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 112620962

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol?
The IUPAC name of [5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol (CID 115962216) is [5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol?
The canonical SMILES for [5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol is Cc1cc(Br)cc(CO)c1OCc1cccc(F)c1F.
What is the InChIKey of [5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol?
The InChIKey is ORFULDYHTOADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O2/c1-9-5-12(16)6-11(7-19)15(9)20-8-10-3-2-4-13(17)14(10)18/h2-6,19H,7-8H2,1H3.
What are the key properties of [5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol?
[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol has a molecular weight of 343.17 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol is sourced from PubChem (CID 115962216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).