(6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate

C19H20O5 — CID 70524005

IUPAC(6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate
SMILESCC(=O)OC1=C(C)C=C(C(=O)c2ccccc2)CC1(C)OC(C)=O
InChIInChI=1S/C19H20O5/c1-12-10-16(17(22)15-8-6-5-7-9-15)11-19(4,24-14(3)21)18(12)23-13(2)20/h5-10H,11H2,1-4H3
InChIKeyHAESGWVLMIJQRK-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.36
Rot. Bonds4

About (6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate

(6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate (PubChem CID 70524005) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate.

Molecular Properties

Compound Name(6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate
PubChem CID70524005
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate
SMILESCC(=O)OC1=C(C)C=C(C(=O)c2ccccc2)CC1(C)OC(C)=O
InChIInChI=1S/C19H20O5/c1-12-10-16(17(22)15-8-6-5-7-9-15)11-19(4,24-14(3)21)18(12)23-13(2)20/h5-10H,11H2,1-4H3
InChIKeyHAESGWVLMIJQRK-UHFFFAOYSA-N
XLogP3.36
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-(4,5,5-trimethylcyclohexa-1,3-dien-1-yl)methanone
CID 22602192
[2-(2-acetyloxy-1,3-dioxo-5,6-dihydroinden-2-yl)-5-phenylphenyl] acetate
CID 138714421
(1-phenylcyclopropyl) acetate
CID 121216912
(2-benzoyl-5-ethoxycarbonyloxy-1-methylcyclohexa-2,4-dien-1-yl) ethyl carbonate
CID 142932065
acetic acid;diphenylmethanone;hydrate
CID 161284686
diphenylmethanone;ethane
CID 158014879
benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
CID 160674424
diphenylmethanone
CID 3102
(7-acetyloxy-3,6,6-trimethyl-4-oxocyclohept-2-en-1-yl) benzoate
CID 22922363
(2-ethyl-6-oxocyclohexen-1-yl) benzoate
CID 86026938
(1-methylcyclopropyl) benzoate
CID 14416714
(2-acetyloxy-4,7,7-trimethyl-5-oxocyclohept-3-en-1-yl) benzoate
CID 22922447

Frequently Asked Questions

What is the IUPAC name of (6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate?
The IUPAC name of (6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate (CID 70524005) is (6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate.
What is the SMILES notation for (6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate?
The canonical SMILES for (6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate is CC(=O)OC1=C(C)C=C(C(=O)c2ccccc2)CC1(C)OC(C)=O.
What is the InChIKey of (6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate?
The InChIKey is HAESGWVLMIJQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-12-10-16(17(22)15-8-6-5-7-9-15)11-19(4,24-14(3)21)18(12)23-13(2)20/h5-10H,11H2,1-4H3.
What are the key properties of (6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate?
(6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate has a molecular weight of 328.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyloxy-4-benzoyl-2,6-dimethylcyclohexa-1,3-dien-1-yl) acetate is sourced from PubChem (CID 70524005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).