1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol

C15H14ClFO2 — CID 55104112

IUPAC1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H14ClFO2/c16-14-7-4-8-15(17)13(14)9-11(18)10-19-12-5-2-1-3-6-12/h1-8,11,18H,9-10H2
InChIKeyHUENLCBOBDJTPL-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.46
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol

1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol (PubChem CID 55104112) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol
PubChem CID55104112
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H14ClFO2/c16-14-7-4-8-15(17)13(14)9-11(18)10-19-12-5-2-1-3-6-12/h1-8,11,18H,9-10H2
InChIKeyHUENLCBOBDJTPL-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol
CID 107308124
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
CID 18224684
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 102867534
4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile
CID 82078369
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366
(2S)-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 7189282
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol
CID 2090777
(2-chloro-6-fluorophenyl)methyl-[(2S)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylazanium
CID 2090776
1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63022137
N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide
CID 55680016
(2S)-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 66551959

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol (CID 55104112) is 1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol is OC(COc1ccccc1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol?
The InChIKey is HUENLCBOBDJTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c16-14-7-4-8-15(17)13(14)9-11(18)10-19-12-5-2-1-3-6-12/h1-8,11,18H,9-10H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol?
1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol has a molecular weight of 280.73 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol is sourced from PubChem (CID 55104112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).