1-(2-chloro-4-fluorophenoxy)propan-2-ol

C9H10ClFO2 — CID 65277724

IUPAC1-(2-chloro-4-fluorophenoxy)propan-2-ol
SMILESCC(O)COc1ccc(F)cc1Cl
InChIInChI=1S/C9H10ClFO2/c1-6(12)5-13-9-3-2-7(11)4-8(9)10/h2-4,6,12H,5H2,1H3
InChIKeyKPBBMVYMEUIQME-UHFFFAOYSA-N
MW204.63 g/mol
LogP2.24
Rot. Bonds3

About 1-(2-chloro-4-fluorophenoxy)propan-2-ol

1-(2-chloro-4-fluorophenoxy)propan-2-ol (PubChem CID 65277724) has the molecular formula C9H10ClFO2 and a molecular weight of 204.63 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenoxy)propan-2-ol
PubChem CID65277724
Molecular FormulaC9H10ClFO2
Molecular Weight204.63 g/mol
Exact Mass204.04
IUPAC Name1-(2-chloro-4-fluorophenoxy)propan-2-ol
SMILESCC(O)COc1ccc(F)cc1Cl
InChIInChI=1S/C9H10ClFO2/c1-6(12)5-13-9-3-2-7(11)4-8(9)10/h2-4,6,12H,5H2,1H3
InChIKeyKPBBMVYMEUIQME-UHFFFAOYSA-N
XLogP2.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 71943765
(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 97085392
(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol
CID 63368001
1-(4-fluoro-2-nitrophenoxy)propan-2-ol
CID 65277245
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 1485361
2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid
CID 103372200
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide
CID 115410094
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
1-(2-chloro-4-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 110884437
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol
CID 1485345

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenoxy)propan-2-ol (CID 65277724) is 1-(2-chloro-4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenoxy)propan-2-ol is CC(O)COc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenoxy)propan-2-ol?
The InChIKey is KPBBMVYMEUIQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO2/c1-6(12)5-13-9-3-2-7(11)4-8(9)10/h2-4,6,12H,5H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenoxy)propan-2-ol?
1-(2-chloro-4-fluorophenoxy)propan-2-ol has a molecular weight of 204.63 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 65277724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).