2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate

C19H22O4 — CID 143933613

IUPAC2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate
SMILESCCC1(c2ccccc2)OCCO1.COC(=O)c1ccccc1
InChIInChI=1S/C11H14O2.C8H8O2/c1-2-11(12-8-9-13-11)10-6-4-3-5-7-10;1-10-8(9)7-5-3-2-4-6-7/h3-7H,2,8-9H2,1H3;2-6H,1H3
InChIKeyCHYUTCHZUZEZMV-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.77
Rot. Bonds3

About 2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate

2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate (PubChem CID 143933613) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate.

Molecular Properties

Compound Name2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate
PubChem CID143933613
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate
SMILESCCC1(c2ccccc2)OCCO1.COC(=O)c1ccccc1
InChIInChI=1S/C11H14O2.C8H8O2/c1-2-11(12-8-9-13-11)10-6-4-3-5-7-10;1-10-8(9)7-5-3-2-4-6-7/h3-7H,2,8-9H2,1H3;2-6H,1H3
InChIKeyCHYUTCHZUZEZMV-UHFFFAOYSA-N
XLogP3.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
methyl benzoate;pentane
CID 142510193
ethane;methoxymethane;methyl benzoate
CID 90999424
ethoxy(trimethyl)silane;methyl benzoate
CID 91180329
butanamide;methyl benzoate
CID 174540365
benzyl 4-(2-butyl-1,3-dioxolan-2-yl)benzoate
CID 59772895
methyl benzoate azide
CID 161139797
methyl benzoate;2-methylpropan-1-ol
CID 69407319
methyl 4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]benzoate
CID 122384679
methyl benzoate;3-(oxiran-2-yl)propan-1-ol
CID 174580613
bromobenzene;methyl benzoate
CID 175243928

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate?
The IUPAC name of 2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate (CID 143933613) is 2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate.
What is the SMILES notation for 2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate?
The canonical SMILES for 2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate is CCC1(c2ccccc2)OCCO1.COC(=O)c1ccccc1.
What is the InChIKey of 2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate?
The InChIKey is CHYUTCHZUZEZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C8H8O2/c1-2-11(12-8-9-13-11)10-6-4-3-5-7-10;1-10-8(9)7-5-3-2-4-6-7/h3-7H,2,8-9H2,1H3;2-6H,1H3.
What are the key properties of 2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate?
2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate has a molecular weight of 314.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate is sourced from PubChem (CID 143933613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).