1-(oxolan-2-yl)-2,2-diphenylethanone

C18H18O2 — CID 15643880

IUPAC1-(oxolan-2-yl)-2,2-diphenylethanone
SMILESO=C(C1CCCO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c19-18(16-12-7-13-20-16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChIKeyLZURVAJQOGCCLU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.57
Rot. Bonds4

About 1-(oxolan-2-yl)-2,2-diphenylethanone

1-(oxolan-2-yl)-2,2-diphenylethanone (PubChem CID 15643880) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(oxolan-2-yl)-2,2-diphenylethanone
PubChem CID15643880
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(oxolan-2-yl)-2,2-diphenylethanone
SMILESO=C(C1CCCO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c19-18(16-12-7-13-20-16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChIKeyLZURVAJQOGCCLU-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxy-1,7-diphenyl-3-heptanone
CID 5319430
(5s)-5-Methoxy-1,7-diphenylhept-3-one
CID 26437440
3-Hydroxy-1,4-diphenylbutan-2-one
CID 12704363
5-Benzyl-4-phenyloxolane-2,3-dione
CID 226677
(3R,4R)-3,4-dibenzyloxolan-2-one
CID 11448508
4-Methoxy-1,6-diphenylhexan-2-one
CID 24881816
6-Methoxy-1,8-diphenyloctan-4-one
CID 24881817
Circumcin C
CID 11736592
2-Propanone, 1-ethoxy-3-phenyl-
CID 316617
2-Methoxy-4-phenylcyclohexan-1-one
CID 19030151
4-Phenyloxolan-3-one
CID 57856708
Ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate
CID 10684606

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-2,2-diphenylethanone?
The IUPAC name of 1-(oxolan-2-yl)-2,2-diphenylethanone (CID 15643880) is 1-(oxolan-2-yl)-2,2-diphenylethanone.
What is the SMILES notation for 1-(oxolan-2-yl)-2,2-diphenylethanone?
The canonical SMILES for 1-(oxolan-2-yl)-2,2-diphenylethanone is O=C(C1CCCO1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(oxolan-2-yl)-2,2-diphenylethanone?
The InChIKey is LZURVAJQOGCCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-18(16-12-7-13-20-16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2.
What are the key properties of 1-(oxolan-2-yl)-2,2-diphenylethanone?
1-(oxolan-2-yl)-2,2-diphenylethanone has a molecular weight of 266.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-2,2-diphenylethanone is sourced from PubChem (CID 15643880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).