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

C15H14BrFO2 — CID 112612374

IUPAC[2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol
SMILESCc1cccc(CO)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C15H14BrFO2/c1-10-3-2-4-11(8-18)15(10)19-9-12-5-6-13(17)7-14(12)16/h2-7,18H,8-9H2,1H3
InChIKeyRTFMRNQXHNNQPS-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.97
Rot. Bonds4

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

[2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol (PubChem CID 112612374) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is [2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol
PubChem CID112612374
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name[2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol
SMILESCc1cccc(CO)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C15H14BrFO2/c1-10-3-2-4-11(8-18)15(10)19-9-12-5-6-13(17)7-14(12)16/h2-7,18H,8-9H2,1H3
InChIKeyRTFMRNQXHNNQPS-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

2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
CID 113220141
1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene
CID 63535034
[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607460
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958703
[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962216
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952569
1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene
CID 55192230
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567
[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 104798784
3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde
CID 55222594
[2-[(2-bromo-4-nitrophenyl)methoxy]-3-fluorophenyl]methanol
CID 115956391
4-[(2-bromo-4-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673708

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol?
The IUPAC name of [2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol (CID 112612374) is [2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol.
What is the SMILES notation for [2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol?
The canonical SMILES for [2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol is Cc1cccc(CO)c1OCc1ccc(F)cc1Br.
What is the InChIKey of [2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol?
The InChIKey is RTFMRNQXHNNQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-10-3-2-4-11(8-18)15(10)19-9-12-5-6-13(17)7-14(12)16/h2-7,18H,8-9H2,1H3.
What are the key properties of [2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol?
[2-[(2-bromo-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 [2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol is sourced from PubChem (CID 112612374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).