1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one

C14H16F2O2 — CID 107515192

IUPAC1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCC2CCCO2)c(F)c1F
InChIInChI=1S/C14H16F2O2/c1-9-4-6-11(14(16)13(9)15)12(17)7-5-10-3-2-8-18-10/h4,6,10H,2-3,5,7-8H2,1H3
InChIKeyMXYGDGBLRNUUKV-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.42
Rot. Bonds4

About 1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one

1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 107515192) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
PubChem CID107515192
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCC2CCCO2)c(F)c1F
InChIInChI=1S/C14H16F2O2/c1-9-4-6-11(14(16)13(9)15)12(17)7-5-10-3-2-8-18-10/h4,6,10H,2-3,5,7-8H2,1H3
InChIKeyMXYGDGBLRNUUKV-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65154683
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828
1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 81045032
1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976662
1-(2-bromo-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976829
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976956
1-(4-methoxy-2-methylphenyl)-3-(oxan-2-yl)propan-1-one
CID 114965567
1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154926
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one (CID 107515192) is 1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one is Cc1ccc(C(=O)CCC2CCCO2)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is MXYGDGBLRNUUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c1-9-4-6-11(14(16)13(9)15)12(17)7-5-10-3-2-8-18-10/h4,6,10H,2-3,5,7-8H2,1H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one?
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 254.28 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 107515192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).