4-(4-methylphenyl)-5-phenyloxolan-2-one

C17H16O2 — CID 144706058

IUPAC4-(4-methylphenyl)-5-phenyloxolan-2-one
SMILESCc1ccc(C2CC(=O)OC2c2ccccc2)cc1
InChIInChI=1S/C17H16O2/c1-12-7-9-13(10-8-12)15-11-16(18)19-17(15)14-5-3-2-4-6-14/h2-10,15,17H,11H2,1H3
InChIKeyNDGCRKGHLYFBKV-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.77
Rot. Bonds2

About 4-(4-methylphenyl)-5-phenyloxolan-2-one

4-(4-methylphenyl)-5-phenyloxolan-2-one (PubChem CID 144706058) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5-phenyloxolan-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-5-phenyloxolan-2-one
PubChem CID144706058
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4-(4-methylphenyl)-5-phenyloxolan-2-one
SMILESCc1ccc(C2CC(=O)OC2c2ccccc2)cc1
InChIInChI=1S/C17H16O2/c1-12-7-9-13(10-8-12)15-11-16(18)19-17(15)14-5-3-2-4-6-14/h2-10,15,17H,11H2,1H3
InChIKeyNDGCRKGHLYFBKV-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-5-phenyloxolan-2-one
CID 144706057
(4R,5S)-4-(4-methylphenyl)sulfanyl-5-phenyloxolan-2-one
CID 10708196
(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
CID 15448194
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
CID 177461861
(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one
CID 127256657
4-(furan-2-yl)-5-phenyloxolan-2-one
CID 144706049
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
(4S,5R)-5-[(1S)-1-hydroxyethyl]-4-(4-methylphenyl)oxolan-2-one
CID 132502515
2-(4-methylphenyl)-3-phenyloxirane
CID 602487
(4S,5S)-4-amino-5-phenyloxolan-2-one
CID 10867626
(4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one
CID 132551217
(4S,5R)-5-(4-methylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one
CID 132538527

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-5-phenyloxolan-2-one?
The IUPAC name of 4-(4-methylphenyl)-5-phenyloxolan-2-one (CID 144706058) is 4-(4-methylphenyl)-5-phenyloxolan-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-5-phenyloxolan-2-one?
The canonical SMILES for 4-(4-methylphenyl)-5-phenyloxolan-2-one is Cc1ccc(C2CC(=O)OC2c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-5-phenyloxolan-2-one?
The InChIKey is NDGCRKGHLYFBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-12-7-9-13(10-8-12)15-11-16(18)19-17(15)14-5-3-2-4-6-14/h2-10,15,17H,11H2,1H3.
What are the key properties of 4-(4-methylphenyl)-5-phenyloxolan-2-one?
4-(4-methylphenyl)-5-phenyloxolan-2-one has a molecular weight of 252.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5-phenyloxolan-2-one is sourced from PubChem (CID 144706058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).