1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one

C16H22O2 — CID 65166948

IUPAC1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one
SMILESCc1cccc(CC(=O)CCCC2CCCO2)c1
InChIInChI=1S/C16H22O2/c1-13-5-2-6-14(11-13)12-15(17)7-3-8-16-9-4-10-18-16/h2,5-6,11,16H,3-4,7-10,12H2,1H3
InChIKeyWYXOZZXNXGHMGC-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.46
Rot. Bonds6

About 1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one

1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one (PubChem CID 65166948) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one
PubChem CID65166948
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one
SMILESCc1cccc(CC(=O)CCCC2CCCO2)c1
InChIInChI=1S/C16H22O2/c1-13-5-2-6-14(11-13)12-15(17)7-3-8-16-9-4-10-18-16/h2,5-6,11,16H,3-4,7-10,12H2,1H3
InChIKeyWYXOZZXNXGHMGC-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one
CID 65167105
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one
CID 114976783
N-[2-(3-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163255
oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate
CID 78833188
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981217
2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine
CID 65166119
1-(4-ethylphenyl)-4-(oxolan-2-yl)butan-2-one
CID 114963451
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-2-one
CID 65155375
4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-one
CID 114966118
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one?
The IUPAC name of 1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one (CID 65166948) is 1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one.
What is the SMILES notation for 1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one?
The canonical SMILES for 1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one is Cc1cccc(CC(=O)CCCC2CCCO2)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one?
The InChIKey is WYXOZZXNXGHMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-13-5-2-6-14(11-13)12-15(17)7-3-8-16-9-4-10-18-16/h2,5-6,11,16H,3-4,7-10,12H2,1H3.
What are the key properties of 1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one?
1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one is sourced from PubChem (CID 65166948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).