[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol

C15H14BrFO2 — CID 112621009

IUPAC[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCc1ccc(F)cc1
InChIInChI=1S/C15H14BrFO2/c1-10-6-13(16)7-12(8-18)15(10)19-9-11-2-4-14(17)5-3-11/h2-7,18H,8-9H2,1H3
InChIKeyOTJJWCAFZAFFFP-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.97
Rot. Bonds4

About [5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol

[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol (PubChem CID 112621009) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is [5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
PubChem CID112621009
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCc1ccc(F)cc1
InChIInChI=1S/C15H14BrFO2/c1-10-6-13(16)7-12(8-18)15(10)19-9-11-2-4-14(17)5-3-11/h2-7,18H,8-9H2,1H3
InChIKeyOTJJWCAFZAFFFP-UHFFFAOYSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962216
[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
CID 112621072
[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962142
1-[5-bromo-2-[(4-bromophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115960973
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
5-bromo-1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]-3-methylbenzene
CID 112621396
[5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 112620962
(5-bromo-2-methoxy-3-methylphenyl)methanol
CID 58993702
[2-[(4-aminophenyl)methoxy]-3,5-dibromophenyl]methanol
CID 132591522
[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
CID 112621176

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol?
The IUPAC name of [5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol (CID 112621009) is [5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol?
The canonical SMILES for [5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol is Cc1cc(Br)cc(CO)c1OCc1ccc(F)cc1.
What is the InChIKey of [5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol?
The InChIKey is OTJJWCAFZAFFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-10-6-13(16)7-12(8-18)15(10)19-9-11-2-4-14(17)5-3-11/h2-7,18H,8-9H2,1H3.
What are the key properties of [5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol?
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol has a molecular weight of 325.18 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol is sourced from PubChem (CID 112621009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).