[2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate

C20H22O7 — CID 122177551

IUPAC[2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate
SMILESCOc1cccc(OC)c1C(=O)c1c(O)cc(C)c(OC)c1COC(C)=O
InChIInChI=1S/C20H22O7/c1-11-9-14(22)17(13(20(11)26-5)10-27-12(2)21)19(23)18-15(24-3)7-6-8-16(18)25-4/h6-9,22H,10H2,1-5H3
InChIKeyCWWCKIYAPMTJLY-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.02
Rot. Bonds7

About [2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate

[2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate (PubChem CID 122177551) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is [2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate.

Molecular Properties

Compound Name[2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate
PubChem CID122177551
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name[2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate
SMILESCOc1cccc(OC)c1C(=O)c1c(O)cc(C)c(OC)c1COC(C)=O
InChIInChI=1S/C20H22O7/c1-11-9-14(22)17(13(20(11)26-5)10-27-12(2)21)19(23)18-15(24-3)7-6-8-16(18)25-4/h6-9,22H,10H2,1-5H3
InChIKeyCWWCKIYAPMTJLY-UHFFFAOYSA-N
XLogP3.02
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-hydroxy-6-methoxyphenyl)methyl acetate
CID 162054633
(3-amino-2,4,6-trimethoxyphenyl)methyl acetate
CID 134894740
(2,6-dimethoxyphenyl)-(2,3,4,6-tetramethylphenyl)methanone
CID 172752328
(4-tert-butyl-2,6-dimethylphenyl)methyl 2,6-dimethoxybenzoate
CID 3500563
[3-methyl-2-(2,3,4-trimethoxy-6-methylbenzoyl)phenyl] acetate
CID 22671378
[3-(2,3-dimethoxyphenyl)phenyl]methyl acetate
CID 175266062
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
(3-hydroxy-4-methoxyphenyl) 2-methoxy-6-methylbenzoate
CID 54297373
[3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate
CID 174564849
benzene-1,3-diol;ethyl acetate
CID 175540003
(2-fluoro-6-methoxyphenyl)-(2-hydroxy-6-methoxyphenyl)methanone
CID 14629523
anthracen-9-ylmethyl acetate
CID 27876

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate?
The IUPAC name of [2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate (CID 122177551) is [2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate.
What is the SMILES notation for [2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate?
The canonical SMILES for [2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate is COc1cccc(OC)c1C(=O)c1c(O)cc(C)c(OC)c1COC(C)=O.
What is the InChIKey of [2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate?
The InChIKey is CWWCKIYAPMTJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O7/c1-11-9-14(22)17(13(20(11)26-5)10-27-12(2)21)19(23)18-15(24-3)7-6-8-16(18)25-4/h6-9,22H,10H2,1-5H3.
What are the key properties of [2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate?
[2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate has a molecular weight of 374.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethoxybenzoyl)-3-hydroxy-6-methoxy-5-methylphenyl]methyl acetate is sourced from PubChem (CID 122177551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).