[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate

C19H18O7 — CID 121279078

IUPAC[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
SMILESCOc1ccc(C(=O)c2ccc(OC)cc2OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C19H18O7/c1-11(20)25-17-9-13(23-3)5-7-15(17)19(22)16-8-6-14(24-4)10-18(16)26-12(2)21/h5-10H,1-4H3
InChIKeyHTGRQSQOQRZRSU-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.79
Rot. Bonds6

About [2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate

[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate (PubChem CID 121279078) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is [2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate.

Molecular Properties

Compound Name[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
PubChem CID121279078
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
SMILESCOc1ccc(C(=O)c2ccc(OC)cc2OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C19H18O7/c1-11(20)25-17-9-13(23-3)5-7-15(17)19(22)16-8-6-14(24-4)10-18(16)26-12(2)21/h5-10H,1-4H3
InChIKeyHTGRQSQOQRZRSU-UHFFFAOYSA-N
XLogP2.79
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
(4-acetyloxyphenyl) 2,4-dimethoxybenzoate
CID 59769025
[5-methoxy-2-(2-phenylacetyl)phenyl] acetate
CID 12582102
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
(3,4-dimethoxyphenyl) acetate
CID 593001
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
[2-(hydrazinylmethyl)-5-methoxyphenyl] acetate
CID 67761426
(2-amino-4-bromophenyl)-(2,4-dimethoxyphenyl)methanone
CID 116591704
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
2,4-dimethoxybenzoic acid
CID 7052

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate?
The IUPAC name of [2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate (CID 121279078) is [2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate.
What is the SMILES notation for [2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate?
The canonical SMILES for [2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate is COc1ccc(C(=O)c2ccc(OC)cc2OC(C)=O)c(OC(C)=O)c1.
What is the InChIKey of [2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate?
The InChIKey is HTGRQSQOQRZRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-11(20)25-17-9-13(23-3)5-7-15(17)19(22)16-8-6-14(24-4)10-18(16)26-12(2)21/h5-10H,1-4H3.
What are the key properties of [2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate?
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate has a molecular weight of 358.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate is sourced from PubChem (CID 121279078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).