3-(4-butylphenyl)-5-phenyloxolan-2-one

C20H22O2 — CID 67810185

IUPAC3-(4-butylphenyl)-5-phenyloxolan-2-one
SMILESCCCCc1ccc(C2CC(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C20H22O2/c1-2-3-7-15-10-12-16(13-11-15)18-14-19(22-20(18)21)17-8-5-4-6-9-17/h4-6,8-13,18-19H,2-3,7,14H2,1H3
InChIKeyIWOIYRRBWPZUQU-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.80
Rot. Bonds5

About 3-(4-butylphenyl)-5-phenyloxolan-2-one

3-(4-butylphenyl)-5-phenyloxolan-2-one (PubChem CID 67810185) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-(4-butylphenyl)-5-phenyloxolan-2-one.

Molecular Properties

Compound Name3-(4-butylphenyl)-5-phenyloxolan-2-one
PubChem CID67810185
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name3-(4-butylphenyl)-5-phenyloxolan-2-one
SMILESCCCCc1ccc(C2CC(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C20H22O2/c1-2-3-7-15-10-12-16(13-11-15)18-14-19(22-20(18)21)17-8-5-4-6-9-17/h4-6,8-13,18-19H,2-3,7,14H2,1H3
InChIKeyIWOIYRRBWPZUQU-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-pentyl-5-[4-(4-pentylphenyl)phenyl]oxolan-2-one
CID 19786116
5-[4-(4-heptylphenyl)phenyl]-3-hexyloxolan-2-one
CID 19786199
5-[4-(4-octylphenyl)phenyl]-3-pentyloxolan-2-one
CID 19786150
(3R,5R)-5-butyl-3-phenyloxolan-2-one
CID 14968658
(3S,5S)-3-phenyl-5-tridecyloxolan-2-one
CID 10860874
3-octyl-6-(4-pentylphenyl)oxan-2-one
CID 21247527
3-butyl-6-(4-hexylphenyl)oxan-2-one
CID 21247946
5-(4-butylphenyl)-2-phenyl-1,3-dioxane
CID 141451860
3-pentyl-6-phenyloxan-2-one
CID 21247942
5-methyl-2-(4-pentylphenyl)cyclohexan-1-one
CID 23041298
3,6-bis(4-butylphenyl)-1,2,4,5-tetraoxane
CID 44573810
(4-octylphenyl)-phenyliodanium
CID 16696664

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)-5-phenyloxolan-2-one?
The IUPAC name of 3-(4-butylphenyl)-5-phenyloxolan-2-one (CID 67810185) is 3-(4-butylphenyl)-5-phenyloxolan-2-one.
What is the SMILES notation for 3-(4-butylphenyl)-5-phenyloxolan-2-one?
The canonical SMILES for 3-(4-butylphenyl)-5-phenyloxolan-2-one is CCCCc1ccc(C2CC(c3ccccc3)OC2=O)cc1.
What is the InChIKey of 3-(4-butylphenyl)-5-phenyloxolan-2-one?
The InChIKey is IWOIYRRBWPZUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-2-3-7-15-10-12-16(13-11-15)18-14-19(22-20(18)21)17-8-5-4-6-9-17/h4-6,8-13,18-19H,2-3,7,14H2,1H3.
What are the key properties of 3-(4-butylphenyl)-5-phenyloxolan-2-one?
3-(4-butylphenyl)-5-phenyloxolan-2-one has a molecular weight of 294.39 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)-5-phenyloxolan-2-one is sourced from PubChem (CID 67810185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).