(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate

C12H12O7 — CID 15365306

IUPAC(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate
SMILESCOC(=O)Oc1ccc(C(C)=O)c(OC(=O)OC)c1
InChIInChI=1S/C12H12O7/c1-7(13)9-5-4-8(18-11(14)16-2)6-10(9)19-12(15)17-3/h4-6H,1-3H3
InChIKeyNMRNDVZPRSFLEH-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.18
Rot. Bonds3

About (2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate

(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate (PubChem CID 15365306) has the molecular formula C12H12O7 and a molecular weight of 268.22 g/mol. Its IUPAC name is (2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate.

Molecular Properties

Compound Name(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate
PubChem CID15365306
Molecular FormulaC12H12O7
Molecular Weight268.22 g/mol
Exact Mass268.06
IUPAC Name(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate
SMILESCOC(=O)Oc1ccc(C(C)=O)c(OC(=O)OC)c1
InChIInChI=1S/C12H12O7/c1-7(13)9-5-4-8(18-11(14)16-2)6-10(9)19-12(15)17-3/h4-6H,1-3H3
InChIKeyNMRNDVZPRSFLEH-UHFFFAOYSA-N
XLogP2.18
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

4-O-[4-acetyl-3-(4-methoxy-4-oxobutanoyl)oxyphenyl] 1-O-methyl butanedioate
CID 70480452
(2-acetylphenyl) methyl carbonate
CID 14493761
(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051
(2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate
CID 88541783
[4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate
CID 163320558
(2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate
CID 54197243
(2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 32886949
[4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate
CID 163320694
(2-acetyl-5-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate
CID 91741492
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
(2-acetyl-5-methoxyphenyl) 3,4-dimethoxybenzoate
CID 889085
1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone
CID 82001376

Frequently Asked Questions

What is the IUPAC name of (2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate?
The IUPAC name of (2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate (CID 15365306) is (2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate.
What is the SMILES notation for (2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate?
The canonical SMILES for (2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate is COC(=O)Oc1ccc(C(C)=O)c(OC(=O)OC)c1.
What is the InChIKey of (2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate?
The InChIKey is NMRNDVZPRSFLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O7/c1-7(13)9-5-4-8(18-11(14)16-2)6-10(9)19-12(15)17-3/h4-6H,1-3H3.
What are the key properties of (2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate?
(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate has a molecular weight of 268.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate is sourced from PubChem (CID 15365306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).