(2-acetylphenyl) methyl carbonate

C10H10O4 — CID 14493761

IUPAC(2-acetylphenyl) methyl carbonate
SMILESCOC(=O)Oc1ccccc1C(C)=O
InChIInChI=1S/C10H10O4/c1-7(11)8-5-3-4-6-9(8)14-10(12)13-2/h3-6H,1-2H3
InChIKeyLPTYTOCQMDNIJI-UHFFFAOYSA-N
MW194.19 g/mol
LogP2.03
Rot. Bonds2

About (2-acetylphenyl) methyl carbonate

(2-acetylphenyl) methyl carbonate (PubChem CID 14493761) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2-acetylphenyl) methyl carbonate.

Molecular Properties

Compound Name(2-acetylphenyl) methyl carbonate
PubChem CID14493761
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(2-acetylphenyl) methyl carbonate
SMILESCOC(=O)Oc1ccccc1C(C)=O
InChIInChI=1S/C10H10O4/c1-7(11)8-5-3-4-6-9(8)14-10(12)13-2/h3-6H,1-2H3
InChIKeyLPTYTOCQMDNIJI-UHFFFAOYSA-N
XLogP2.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-acetylphenyl) (2-formylphenyl) carbonate;ethene
CID 142249621
1-(2-prop-1-en-2-yloxyphenyl)ethanone
CID 118199787
(2-acetylphenyl) 2-bromoacetate
CID 58158821
(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate
CID 15365306
(2-methylphenyl) 2-methoxycarbonyloxybenzoate
CID 69024261
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
(2-acetylphenyl) 2,2-diphenylacetate
CID 134840846
(2-formylphenyl) 2-methoxycarbonyloxybenzoate
CID 10402512
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
3-(2-acetylphenoxy)butan-2-one
CID 82312052
(2-iodophenyl) methyl carbonate
CID 102340361
(2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate
CID 54197243

Frequently Asked Questions

What is the IUPAC name of (2-acetylphenyl) methyl carbonate?
The IUPAC name of (2-acetylphenyl) methyl carbonate (CID 14493761) is (2-acetylphenyl) methyl carbonate.
What is the SMILES notation for (2-acetylphenyl) methyl carbonate?
The canonical SMILES for (2-acetylphenyl) methyl carbonate is COC(=O)Oc1ccccc1C(C)=O.
What is the InChIKey of (2-acetylphenyl) methyl carbonate?
The InChIKey is LPTYTOCQMDNIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-7(11)8-5-3-4-6-9(8)14-10(12)13-2/h3-6H,1-2H3.
What are the key properties of (2-acetylphenyl) methyl carbonate?
(2-acetylphenyl) methyl carbonate has a molecular weight of 194.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetylphenyl) methyl carbonate is sourced from PubChem (CID 14493761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).