(2-acetyl-3-methoxyphenyl) acetate

C11H12O4 — CID 15090735

IUPAC(2-acetyl-3-methoxyphenyl) acetate
SMILESCOc1cccc(OC(C)=O)c1C(C)=O
InChIInChI=1S/C11H12O4/c1-7(12)11-9(14-3)5-4-6-10(11)15-8(2)13/h4-6H,1-3H3
InChIKeyFMVANFQMWMZTSB-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.82
Rot. Bonds3

About (2-acetyl-3-methoxyphenyl) acetate

(2-acetyl-3-methoxyphenyl) acetate (PubChem CID 15090735) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2-acetyl-3-methoxyphenyl) acetate.

Molecular Properties

Compound Name(2-acetyl-3-methoxyphenyl) acetate
PubChem CID15090735
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(2-acetyl-3-methoxyphenyl) acetate
SMILESCOc1cccc(OC(C)=O)c1C(C)=O
InChIInChI=1S/C11H12O4/c1-7(12)11-9(14-3)5-4-6-10(11)15-8(2)13/h4-6H,1-3H3
InChIKeyFMVANFQMWMZTSB-UHFFFAOYSA-N
XLogP1.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-acetyl-3-methoxyphenyl) benzoate
CID 14572161
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
acetyl 2,6-dimethoxybenzoate
CID 57154954
2,6-diacetyloxybenzoic acid
CID 10007406
(2-acetyl-3-methoxyphenyl) (E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate
CID 71569085
(2-acetyl-3-methoxyphenyl) 4-methylbenzoate
CID 10334058
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
(2-acetyl-3-methoxyphenyl) methanesulfonate
CID 100978812
methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
(4-acetylphenyl) 2,6-dimethoxybenzoate
CID 795776
3-acetyloxy-2-methoxycarbonylbenzoic acid
CID 138974529
(4-acetyl-3-acetyloxy-5-methoxy-2-methylphenyl) acetate
CID 166890344

Frequently Asked Questions

What is the IUPAC name of (2-acetyl-3-methoxyphenyl) acetate?
The IUPAC name of (2-acetyl-3-methoxyphenyl) acetate (CID 15090735) is (2-acetyl-3-methoxyphenyl) acetate.
What is the SMILES notation for (2-acetyl-3-methoxyphenyl) acetate?
The canonical SMILES for (2-acetyl-3-methoxyphenyl) acetate is COc1cccc(OC(C)=O)c1C(C)=O.
What is the InChIKey of (2-acetyl-3-methoxyphenyl) acetate?
The InChIKey is FMVANFQMWMZTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-7(12)11-9(14-3)5-4-6-10(11)15-8(2)13/h4-6H,1-3H3.
What are the key properties of (2-acetyl-3-methoxyphenyl) acetate?
(2-acetyl-3-methoxyphenyl) acetate has a molecular weight of 208.21 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-3-methoxyphenyl) acetate is sourced from PubChem (CID 15090735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).