phenylmethoxycarbonyl acetate

C10H10O4 — CID 88811715

IUPACphenylmethoxycarbonyl acetate
SMILESCC(=O)OC(=O)OCc1ccccc1
InChIInChI=1S/C10H10O4/c1-8(11)14-10(12)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyNKHCRPZGNPOLFW-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.89
Rot. Bonds2

About phenylmethoxycarbonyl acetate

phenylmethoxycarbonyl acetate (PubChem CID 88811715) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is phenylmethoxycarbonyl acetate.

Molecular Properties

Compound Namephenylmethoxycarbonyl acetate
PubChem CID88811715
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namephenylmethoxycarbonyl acetate
SMILESCC(=O)OC(=O)OCc1ccccc1
InChIInChI=1S/C10H10O4/c1-8(11)14-10(12)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyNKHCRPZGNPOLFW-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl acetate
CID 8785
phenylmethoxycarbonyl 2-methylbut-2-enoate
CID 174154579
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl acetate;formonitrile
CID 175329925
phenylmethoxycarbonyl 3-aminopropanoate
CID 174772749
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
[methyl(phenylmethoxycarbonyl)carbamoyl] acetate
CID 166811069
benzyl ethylcarbamoyl carbonate
CID 174255630
benzyl acetate;carbon monoxide;chromium
CID 11196913
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666

Frequently Asked Questions

What is the IUPAC name of phenylmethoxycarbonyl acetate?
The IUPAC name of phenylmethoxycarbonyl acetate (CID 88811715) is phenylmethoxycarbonyl acetate.
What is the SMILES notation for phenylmethoxycarbonyl acetate?
The canonical SMILES for phenylmethoxycarbonyl acetate is CC(=O)OC(=O)OCc1ccccc1.
What is the InChIKey of phenylmethoxycarbonyl acetate?
The InChIKey is NKHCRPZGNPOLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-8(11)14-10(12)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of phenylmethoxycarbonyl acetate?
phenylmethoxycarbonyl acetate has a molecular weight of 194.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxycarbonyl acetate is sourced from PubChem (CID 88811715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).