[3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone

C16H14O3 — CID 10515088

IUPAC[3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(C2OCCO2)c1
InChIInChI=1S/C16H14O3/c17-15(12-5-2-1-3-6-12)13-7-4-8-14(11-13)16-18-9-10-19-16/h1-8,11,16H,9-10H2
InChIKeyNZPRGYBCSLSUOM-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.96
Rot. Bonds3

About [3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone

[3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone (PubChem CID 10515088) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is [3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone
PubChem CID10515088
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name[3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(C2OCCO2)c1
InChIInChI=1S/C16H14O3/c17-15(12-5-2-1-3-6-12)13-7-4-8-14(11-13)16-18-9-10-19-16/h1-8,11,16H,9-10H2
InChIKeyNZPRGYBCSLSUOM-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone?
The IUPAC name of [3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone (CID 10515088) is [3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone?
The canonical SMILES for [3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1cccc(C2OCCO2)c1.
What is the InChIKey of [3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone?
The InChIKey is NZPRGYBCSLSUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-15(12-5-2-1-3-6-12)13-7-4-8-14(11-13)16-18-9-10-19-16/h1-8,11,16H,9-10H2.
What are the key properties of [3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone?
[3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone has a molecular weight of 254.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 10515088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).