1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one

C14H18O2 — CID 65167153

IUPAC1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
SMILESCc1cccc(C(=O)CCC2CCCO2)c1
InChIInChI=1S/C14H18O2/c1-11-4-2-5-12(10-11)14(15)8-7-13-6-3-9-16-13/h2,4-5,10,13H,3,6-9H2,1H3
InChIKeyGRXNJRFWNSEJMC-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.14
Rot. Bonds4

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

1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 65167153) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
PubChem CID65167153
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
SMILESCc1cccc(C(=O)CCC2CCCO2)c1
InChIInChI=1S/C14H18O2/c1-11-4-2-5-12(10-11)14(15)8-7-13-6-3-9-16-13/h2,4-5,10,13H,3,6-9H2,1H3
InChIKeyGRXNJRFWNSEJMC-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
1-(2-bromo-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976829
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one
CID 65166948
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309
1-(3-methylphenyl)butan-1-one
CID 4304992
2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone
CID 66570584
1-(4-bromo-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976963
2-(3-methylphenyl)-4-(oxolan-2-yl)butanoic acid
CID 79436331
1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 116546939
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 107515192

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one (CID 65167153) is 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one is Cc1cccc(C(=O)CCC2CCCO2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is GRXNJRFWNSEJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-11-4-2-5-12(10-11)14(15)8-7-13-6-3-9-16-13/h2,4-5,10,13H,3,6-9H2,1H3.
What are the key properties of 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one?
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 65167153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).