[5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate

C15H16O5 — CID 71048131

IUPAC[5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate
SMILESCCc1ccc(Cc2oc(=O)oc2COC(C)=O)cc1
InChIInChI=1S/C15H16O5/c1-3-11-4-6-12(7-5-11)8-13-14(9-18-10(2)16)20-15(17)19-13/h4-7H,3,8-9H2,1-2H3
InChIKeyMPQNZCLNVWRXKB-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.45
Rot. Bonds5

About [5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate

[5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate (PubChem CID 71048131) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is [5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate.

Molecular Properties

Compound Name[5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate
PubChem CID71048131
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name[5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate
SMILESCCc1ccc(Cc2oc(=O)oc2COC(C)=O)cc1
InChIInChI=1S/C15H16O5/c1-3-11-4-6-12(7-5-11)8-13-14(9-18-10(2)16)20-15(17)19-13/h4-7H,3,8-9H2,1-2H3
InChIKeyMPQNZCLNVWRXKB-UHFFFAOYSA-N
XLogP2.45
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-5-methyl-1,3-dioxol-2-one;methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;phenyl acetate
CID 161213209
[4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate
CID 68987644
potassium [4-(acetyloxymethyl)phenyl]azanide
CID 177177546
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
(4-fluorophenyl)methyl acetate
CID 14793785
CID 90816966
CID 90816966
2-[(4-ethylphenyl)methylamino]ethyl acetate
CID 82533444
ethyl 5-(acetyloxymethyl)-4-(4-chlorophenyl)furan-2-carboxylate
CID 71505233
benzyl acetate
CID 8785
(4-ethylphenyl)methyl 2-aminoacetate
CID 94253757
ethane;(4-ethylphenyl)methyl carbonofluoridate
CID 178047310
2-[4-(acetyloxymethyl)phenyl]acetic acid
CID 15224349

Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate?
The IUPAC name of [5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate (CID 71048131) is [5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate.
What is the SMILES notation for [5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate?
The canonical SMILES for [5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate is CCc1ccc(Cc2oc(=O)oc2COC(C)=O)cc1.
What is the InChIKey of [5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate?
The InChIKey is MPQNZCLNVWRXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-3-11-4-6-12(7-5-11)8-13-14(9-18-10(2)16)20-15(17)19-13/h4-7H,3,8-9H2,1-2H3.
What are the key properties of [5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate?
[5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate has a molecular weight of 276.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate is sourced from PubChem (CID 71048131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).