(4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone

C17H16O3 — CID 19878484

IUPAC(4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone
SMILESCC1(C(=O)c2ccccc2)OCOC1c1ccccc1
InChIInChI=1S/C17H16O3/c1-17(15(18)13-8-4-2-5-9-13)16(19-12-20-17)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3
InChIKeyIUCBLMRYVCCFGR-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.37
Rot. Bonds3

About (4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone

(4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone (PubChem CID 19878484) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone
PubChem CID19878484
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone
SMILESCC1(C(=O)c2ccccc2)OCOC1c1ccccc1
InChIInChI=1S/C17H16O3/c1-17(15(18)13-8-4-2-5-9-13)16(19-12-20-17)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3
InChIKeyIUCBLMRYVCCFGR-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone
CID 14343422
(2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide
CID 11240789
(4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one
CID 101447740
1-(2-acetyl-3-phenyloxiran-2-yl)ethanone
CID 75183920
ethyl 2-benzoyl-3-phenyloxirane-2-carboxylate
CID 101480933
4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one
CID 134890192
2-methyl-3-phenylbut-2-enedioic acid
CID 54439323
(Z)-2-methyl-3-phenylbut-2-enedioic acid
CID 66610285
(5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane
CID 39354685
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
(1-methylcyclopent-3-en-1-yl)-phenylmethanone
CID 11106063
(1-benzoyl-2-methylcyclopropyl)-phenylmethanone
CID 132510708

Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone?
The IUPAC name of (4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone (CID 19878484) is (4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone.
What is the SMILES notation for (4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone?
The canonical SMILES for (4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone is CC1(C(=O)c2ccccc2)OCOC1c1ccccc1.
What is the InChIKey of (4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone?
The InChIKey is IUCBLMRYVCCFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-17(15(18)13-8-4-2-5-9-13)16(19-12-20-17)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3.
What are the key properties of (4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone?
(4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone has a molecular weight of 268.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone is sourced from PubChem (CID 19878484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).