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

C9H10ClFO — CID 75525733

IUPAC1-(3-chloro-2-fluorophenyl)propan-2-ol
SMILESCC(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C9H10ClFO/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4,6,12H,5H2,1H3
InChIKeyOPRVPOVVXYTGDM-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.40
Rot. Bonds2

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

1-(3-chloro-2-fluorophenyl)propan-2-ol (PubChem CID 75525733) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)propan-2-ol
PubChem CID75525733
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name1-(3-chloro-2-fluorophenyl)propan-2-ol
SMILESCC(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C9H10ClFO/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4,6,12H,5H2,1H3
InChIKeyOPRVPOVVXYTGDM-UHFFFAOYSA-N
XLogP2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-Chloro-alpha-ethylbenzenemethanol
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1-Chloro-3-phenyl-2-propanol
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3-(2-Chlorophenyl)-propan-1-ol
CID 221970
4-Chlorobenzenepropanol
CID 221971
(R)-1-(4-chlorophenyl)-1-propanol
CID 10080818
(1R)-1-(3-chlorophenyl)propan-1-ol
CID 10920958
3-Chloro-alpha-ethylbenzenemethanol
CID 11147981
1-(2-Chlorophenyl)ethanol
CID 26082

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)propan-2-ol (CID 75525733) is 1-(3-chloro-2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)propan-2-ol is CC(O)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)propan-2-ol?
The InChIKey is OPRVPOVVXYTGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4,6,12H,5H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)propan-2-ol?
1-(3-chloro-2-fluorophenyl)propan-2-ol has a molecular weight of 188.63 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 75525733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).