1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol

C15H14ClFO2 — CID 116689725

IUPAC1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol
SMILESCC(O)(COc1cccc(Cl)c1F)c1ccccc1
InChIInChI=1S/C15H14ClFO2/c1-15(18,11-6-3-2-4-7-11)10-19-13-9-5-8-12(16)14(13)17/h2-9,18H,10H2,1H3
InChIKeySXWMTNJDMSOCND-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.77
Rot. Bonds4

About 1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol

1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol (PubChem CID 116689725) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol
PubChem CID116689725
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol
SMILESCC(O)(COc1cccc(Cl)c1F)c1ccccc1
InChIInChI=1S/C15H14ClFO2/c1-15(18,11-6-3-2-4-7-11)10-19-13-9-5-8-12(16)14(13)17/h2-9,18H,10H2,1H3
InChIKeySXWMTNJDMSOCND-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenoxy)-2-phenylpropan-2-ol
CID 55068242
1-(2,4-dichlorophenoxy)-2-phenylpropan-2-ol
CID 62373347
N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine
CID 116690237
2-(2-hydroxy-2-phenylpropoxy)benzoic acid
CID 62374978
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78931763
5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde
CID 107697932
1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 63366269
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol
CID 63367980
1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol
CID 115952355
1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335599
1-[2-(1-hydroxypropyl)phenoxy]-2-phenylpropan-2-ol
CID 62374016

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol (CID 116689725) is 1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol is CC(O)(COc1cccc(Cl)c1F)c1ccccc1.
What is the InChIKey of 1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol?
The InChIKey is SXWMTNJDMSOCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-15(18,11-6-3-2-4-7-11)10-19-13-9-5-8-12(16)14(13)17/h2-9,18H,10H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol?
1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol has a molecular weight of 280.73 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol is sourced from PubChem (CID 116689725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).