1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol

C13H16ClFO2 — CID 62607059

IUPAC1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1Cl)CC1CCCO1
InChIInChI=1S/C13H16ClFO2/c14-13-7-10(15)4-3-9(13)6-11(16)8-12-2-1-5-17-12/h3-4,7,11-12,16H,1-2,5-6,8H2
InChIKeyRXJKTZRQKNBDMS-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.95
Rot. Bonds4

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

1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol (PubChem CID 62607059) has the molecular formula C13H16ClFO2 and a molecular weight of 258.72 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol
PubChem CID62607059
Molecular FormulaC13H16ClFO2
Molecular Weight258.72 g/mol
Exact Mass258.08
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1Cl)CC1CCCO1
InChIInChI=1S/C13H16ClFO2/c14-13-7-10(15)4-3-9(13)6-11(16)8-12-2-1-5-17-12/h3-4,7,11-12,16H,1-2,5-6,8H2
InChIKeyRXJKTZRQKNBDMS-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267279
2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane
CID 112815253
1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
CID 113391239
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657
1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 62600088
1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 105397716
2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
CID 65399387
1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
CID 114347642
N-[(2-chloro-4-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362834
1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 62606205
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol (CID 62607059) is 1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol is OC(Cc1ccc(F)cc1Cl)CC1CCCO1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol?
The InChIKey is RXJKTZRQKNBDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO2/c14-13-7-10(15)4-3-9(13)6-11(16)8-12-2-1-5-17-12/h3-4,7,11-12,16H,1-2,5-6,8H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol?
1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol has a molecular weight of 258.72 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol is sourced from PubChem (CID 62607059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).