methyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate

C19H24O5 — CID 6424843

IUPACmethyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate
SMILESCOC(=O)C1=CC2COCC1C(C)C2c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H24O5/c1-11-15-10-24-9-13(7-14(15)19(20)23-4)18(11)12-5-6-16(21-2)17(8-12)22-3/h5-8,11,13,15,18H,9-10H2,1-4H3
InChIKeyGBCXHOOWGXAWCA-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.80
Rot. Bonds4

About methyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate

methyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate (PubChem CID 6424843) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate
PubChem CID6424843
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Namemethyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate
SMILESCOC(=O)C1=CC2COCC1C(C)C2c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H24O5/c1-11-15-10-24-9-13(7-14(15)19(20)23-4)18(11)12-5-6-16(21-2)17(8-12)22-3/h5-8,11,13,15,18H,9-10H2,1-4H3
InChIKeyGBCXHOOWGXAWCA-UHFFFAOYSA-N
XLogP2.80
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S,2S,3R,4R)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 166441849
4-[(1R,2R,3S,4S)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 16756782
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
methyl (3S,4R,5R)-5-(3,4-dimethoxyphenyl)-4-methyl-2-oxooxolane-3-carboxylate
CID 10637526
N-[(1R,5R,6R,7R)-6-(3,4-dimethoxyphenyl)-7-methyl-4,8-dioxo-3-bicyclo[3.2.1]oct-2-enyl]benzamide
CID 134936266
dimethyl 4-(3,4-dimethoxyphenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate
CID 2936500
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
(3R,4S)-4-(3,4-dimethoxyphenyl)-2-oxooxolane-3-carboxylic acid
CID 124747006
4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 131751451
4-[(2S,3R,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 163044948
methyl (2R,3S)-3-(3,4-dimethoxyphenyl)oxirane-2-carboxylate
CID 15262478
dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrate
CID 51056928

Frequently Asked Questions

What is the IUPAC name of methyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate?
The IUPAC name of methyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate (CID 6424843) is methyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate.
What is the SMILES notation for methyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate?
The canonical SMILES for methyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate is COC(=O)C1=CC2COCC1C(C)C2c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate?
The InChIKey is GBCXHOOWGXAWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O5/c1-11-15-10-24-9-13(7-14(15)19(20)23-4)18(11)12-5-6-16(21-2)17(8-12)22-3/h5-8,11,13,15,18H,9-10H2,1-4H3.
What are the key properties of methyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate?
methyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3,4-dimethoxyphenyl)-9-methyl-3-oxabicyclo[3.2.2]non-6-ene-6-carboxylate is sourced from PubChem (CID 6424843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).