2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol

C16H16BrFO — CID 66059292

IUPAC2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol
SMILESOCC(Cc1cccc(Br)c1)Cc1ccccc1F
InChIInChI=1S/C16H16BrFO/c17-15-6-3-4-12(10-15)8-13(11-19)9-14-5-1-2-7-16(14)18/h1-7,10,13,19H,8-9,11H2
InChIKeyOGDJIQXFSLGGHF-UHFFFAOYSA-N
MW323.20 g/mol
LogP3.98
Rot. Bonds5

About 2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol

2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol (PubChem CID 66059292) has the molecular formula C16H16BrFO and a molecular weight of 323.20 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol
PubChem CID66059292
Molecular FormulaC16H16BrFO
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol
SMILESOCC(Cc1cccc(Br)c1)Cc1ccccc1F
InChIInChI=1S/C16H16BrFO/c17-15-6-3-4-12(10-15)8-13(11-19)9-14-5-1-2-7-16(14)18/h1-7,10,13,19H,8-9,11H2
InChIKeyOGDJIQXFSLGGHF-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66059065
2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol
CID 66037391
2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene
CID 66042131
2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592
2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol
CID 66059500
2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060157
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
CID 103049610
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol
CID 66058451
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 66058873
2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol
CID 104813182
2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol
CID 83168879

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol (CID 66059292) is 2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol is OCC(Cc1cccc(Br)c1)Cc1ccccc1F.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol?
The InChIKey is OGDJIQXFSLGGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c17-15-6-3-4-12(10-15)8-13(11-19)9-14-5-1-2-7-16(14)18/h1-7,10,13,19H,8-9,11H2.
What are the key properties of 2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol?
2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol has a molecular weight of 323.20 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 66059292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).