1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one

C14H16ClFO2 — CID 81045032

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
SMILESCc1cc(C(=O)CCC2CCCO2)c(Cl)cc1F
InChIInChI=1S/C14H16ClFO2/c1-9-7-11(12(15)8-13(9)16)14(17)5-4-10-3-2-6-18-10/h7-8,10H,2-6H2,1H3
InChIKeyJOWPAJHRSUUKJA-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.93
Rot. Bonds4

About 1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one

1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 81045032) has the molecular formula C14H16ClFO2 and a molecular weight of 270.73 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
PubChem CID81045032
Molecular FormulaC14H16ClFO2
Molecular Weight270.73 g/mol
Exact Mass270.08
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
SMILESCc1cc(C(=O)CCC2CCCO2)c(Cl)cc1F
InChIInChI=1S/C14H16ClFO2/c1-9-7-11(12(15)8-13(9)16)14(17)5-4-10-3-2-6-18-10/h7-8,10H,2-6H2,1H3
InChIKeyJOWPAJHRSUUKJA-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 107515192
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65154683
3-(oxolan-2-yl)-1-(2,3,4,6-tetrachlorophenyl)propan-1-one
CID 105349439
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
1-(2-bromo-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976829
1-(2-chloro-4-fluoro-5-methylphenyl)hexan-1-one
CID 81044873
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
1-(4-bromo-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976963
1-(2,5-dibromo-4-methylphenyl)-3-(oxan-2-yl)propan-1-one
CID 81473361
1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976767
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one (CID 81045032) is 1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one is Cc1cc(C(=O)CCC2CCCO2)c(Cl)cc1F.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is JOWPAJHRSUUKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO2/c1-9-7-11(12(15)8-13(9)16)14(17)5-4-10-3-2-6-18-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one?
1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 270.73 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 81045032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).