phenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone

C16H14O3 — CID 3089168

IUPACphenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone
SMILESO=C(c1ccccc1)C1(c2ccccc2)COCO1
InChIInChI=1S/C16H14O3/c17-15(13-7-3-1-4-8-13)16(11-18-12-19-16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyDQLNLWIMTCFCJO-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.77
Rot. Bonds3

About phenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone

phenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone (PubChem CID 3089168) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is phenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone
PubChem CID3089168
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Namephenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone
SMILESO=C(c1ccccc1)C1(c2ccccc2)COCO1
InChIInChI=1S/C16H14O3/c17-15(13-7-3-1-4-8-13)16(11-18-12-19-16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyDQLNLWIMTCFCJO-UHFFFAOYSA-N
XLogP2.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone?
The IUPAC name of phenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone (CID 3089168) is phenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone.
What is the SMILES notation for phenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone?
The canonical SMILES for phenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone is O=C(c1ccccc1)C1(c2ccccc2)COCO1.
What is the InChIKey of phenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone?
The InChIKey is DQLNLWIMTCFCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-15(13-7-3-1-4-8-13)16(11-18-12-19-16)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of phenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone?
phenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone has a molecular weight of 254.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-phenyl-1,3-dioxolan-4-yl)methanone is sourced from PubChem (CID 3089168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).