4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one

C12H10O3 — CID 141356919

IUPAC4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one
SMILESC=C(c1ccccc1)c1oc(=O)oc1C
InChIInChI=1S/C12H10O3/c1-8(10-6-4-3-5-7-10)11-9(2)14-12(13)15-11/h3-7H,1H2,2H3
InChIKeySCJDIEOEWDQJLM-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.60
Rot. Bonds2

About 4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one

4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one (PubChem CID 141356919) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one
PubChem CID141356919
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one
SMILESC=C(c1ccccc1)c1oc(=O)oc1C
InChIInChI=1S/C12H10O3/c1-8(10-6-4-3-5-7-10)11-9(2)14-12(13)15-11/h3-7H,1H2,2H3
InChIKeySCJDIEOEWDQJLM-UHFFFAOYSA-N
XLogP2.60
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
phenol;1-phenylethenylbenzene
CID 174309625
phenacyl
CID 11123355
ethoxyethane;1-phenylethenylbenzene
CID 69353422
8-(benzenecarbonothioyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-9-phenyl-8-(1-phenylethenyl)furo[2,3-h]chromen-2-one
CID 143912487
1,2,3,4-tetramethyl-5-(1-phenylethenyl)benzene
CID 4285324
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
ethane;2-phenylprop-2-enoic acid
CID 142472843
hydroxy-dimethyl-(1-phenylethenyl)silane
CID 15263620

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one?
The IUPAC name of 4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one (CID 141356919) is 4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one is C=C(c1ccccc1)c1oc(=O)oc1C.
What is the InChIKey of 4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one?
The InChIKey is SCJDIEOEWDQJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-8(10-6-4-3-5-7-10)11-9(2)14-12(13)15-11/h3-7H,1H2,2H3.
What are the key properties of 4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one?
4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one has a molecular weight of 202.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-phenylethenyl)-1,3-dioxol-2-one is sourced from PubChem (CID 141356919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).