2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol

C16H16ClFO — CID 66058724

IUPAC2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccccc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFO/c17-16-10-15(18)7-6-14(16)9-13(11-19)8-12-4-2-1-3-5-12/h1-7,10,13,19H,8-9,11H2
InChIKeyWQSTWATVPHDSNQ-UHFFFAOYSA-N
MW278.75 g/mol
LogP3.87
Rot. Bonds5

About 2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol

2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol (PubChem CID 66058724) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol
PubChem CID66058724
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccccc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFO/c17-16-10-15(18)7-6-14(16)9-13(11-19)8-12-4-2-1-3-5-12/h1-7,10,13,19H,8-9,11H2
InChIKeyWQSTWATVPHDSNQ-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(2-chloro-4-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610186
1-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-2-chloro-4-fluorobenzene
CID 66042283
2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 102621201
2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107310710
2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 114349827
2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol
CID 66059249
2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496703
2-[(3-chlorophenyl)methyl]-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375957
2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 102621217
1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol
CID 65142299
2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059508
1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62608464

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol (CID 66058724) is 2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol is OCC(Cc1ccccc1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol?
The InChIKey is WQSTWATVPHDSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c17-16-10-15(18)7-6-14(16)9-13(11-19)8-12-4-2-1-3-5-12/h1-7,10,13,19H,8-9,11H2.
What are the key properties of 2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol?
2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol has a molecular weight of 278.75 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 66058724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).