(1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol

C16H16BrFO2 — CID 63365654

IUPAC(1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H16BrFO2/c1-2-16(19)11-4-7-14(8-5-11)20-10-12-3-6-13(18)9-15(12)17/h3-9,16,19H,2,10H2,1H3/t16-/m1/s1
InChIKeyNYISJLCBCUHXFJ-MRXNPFEDSA-N
MW339.20 g/mol
LogP4.61
Rot. Bonds5

About (1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol

(1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol (PubChem CID 63365654) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is (1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol
PubChem CID63365654
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name(1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H16BrFO2/c1-2-16(19)11-4-7-14(8-5-11)20-10-12-3-6-13(18)9-15(12)17/h3-9,16,19H,2,10H2,1H3/t16-/m1/s1
InChIKeyNYISJLCBCUHXFJ-MRXNPFEDSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 78933004
2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531
2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 65146117
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908405
1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene
CID 55192230
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202
(1R)-1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-1-ol
CID 106864374
methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate
CID 60522492
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanol
CID 104894080
2-bromo-4-fluoro-1-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 63458719
1-(4-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346759
(1S)-1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethanol
CID 78930848

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol (CID 63365654) is (1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol is CC[C@@H](O)c1ccc(OCc2ccc(F)cc2Br)cc1.
What is the InChIKey of (1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol?
The InChIKey is NYISJLCBCUHXFJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-2-16(19)11-4-7-14(8-5-11)20-10-12-3-6-13(18)9-15(12)17/h3-9,16,19H,2,10H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol?
(1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol has a molecular weight of 339.20 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 63365654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).