[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone

C17H16O3 — CID 10492107

IUPAC[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone
SMILESCC1(c2ccc(C(=O)c3ccccc3)cc2)OCCO1
InChIInChI=1S/C17H16O3/c1-17(19-11-12-20-17)15-9-7-14(8-10-15)16(18)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyMSWOTBQTXSPZJF-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.14
Rot. Bonds3

About [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone

[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone (PubChem CID 10492107) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone
PubChem CID10492107
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone
SMILESCC1(c2ccc(C(=O)c3ccccc3)cc2)OCCO1
InChIInChI=1S/C17H16O3/c1-17(19-11-12-20-17)15-9-7-14(8-10-15)16(18)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyMSWOTBQTXSPZJF-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone?
The IUPAC name of [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone (CID 10492107) is [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone is CC1(c2ccc(C(=O)c3ccccc3)cc2)OCCO1.
What is the InChIKey of [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone?
The InChIKey is MSWOTBQTXSPZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-17(19-11-12-20-17)15-9-7-14(8-10-15)16(18)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3.
What are the key properties of [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone?
[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone has a molecular weight of 268.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 10492107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).