2-methyl-5-phenyl-1,3-dioxolan-4-one

C10H10O3 — CID 18730132

IUPAC2-methyl-5-phenyl-1,3-dioxolan-4-one
SMILESCC1OC(=O)C(c2ccccc2)O1
InChIInChI=1S/C10H10O3/c1-7-12-9(10(11)13-7)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyHTWMKNKWFMQNDQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.65
Rot. Bonds1

About 2-methyl-5-phenyl-1,3-dioxolan-4-one

2-methyl-5-phenyl-1,3-dioxolan-4-one (PubChem CID 18730132) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2-methyl-5-phenyl-1,3-dioxolan-4-one
PubChem CID18730132
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-methyl-5-phenyl-1,3-dioxolan-4-one
SMILESCC1OC(=O)C(c2ccccc2)O1
InChIInChI=1S/C10H10O3/c1-7-12-9(10(11)13-7)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyHTWMKNKWFMQNDQ-UHFFFAOYSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
(2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one
CID 101343749
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
3-chloro-4-methyl-2-phenyl-2H-furan-5-one
CID 10560334
4-methyl-2-phenyl-1,3-oxathiolan-5-one
CID 12581976
2-methyl-4-phenyl-1,3-oxathiolan-5-one
CID 12581977
(3R,4R,5S)-3,4-dimethyl-5-phenyloxolan-2-one
CID 101000241
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
(2R,5R,6R)-2,6-dimethyl-5-(phenylsulfanylmethyl)-1,3-dioxan-4-one
CID 101060438
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1,3-dioxolan-4-one?
The IUPAC name of 2-methyl-5-phenyl-1,3-dioxolan-4-one (CID 18730132) is 2-methyl-5-phenyl-1,3-dioxolan-4-one.
What is the SMILES notation for 2-methyl-5-phenyl-1,3-dioxolan-4-one?
The canonical SMILES for 2-methyl-5-phenyl-1,3-dioxolan-4-one is CC1OC(=O)C(c2ccccc2)O1.
What is the InChIKey of 2-methyl-5-phenyl-1,3-dioxolan-4-one?
The InChIKey is HTWMKNKWFMQNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-7-12-9(10(11)13-7)8-5-3-2-4-6-8/h2-7,9H,1H3.
What are the key properties of 2-methyl-5-phenyl-1,3-dioxolan-4-one?
2-methyl-5-phenyl-1,3-dioxolan-4-one has a molecular weight of 178.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-1,3-dioxolan-4-one is sourced from PubChem (CID 18730132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).