7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one

C18H20O6 — CID 10782790

IUPAC7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
SMILESCOc1cccc(-c2ccc(OC)c(OC)c(OC)c2=O)c1OC
InChIInChI=1S/C18H20O6/c1-20-13-8-6-7-12(16(13)22-3)11-9-10-14(21-2)17(23-4)18(24-5)15(11)19/h6-10H,1-5H3
InChIKeyJDUPOSDWPBDZEO-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.76
Rot. Bonds6

About 7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one

7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one (PubChem CID 10782790) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
PubChem CID10782790
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
SMILESCOc1cccc(-c2ccc(OC)c(OC)c(OC)c2=O)c1OC
InChIInChI=1S/C18H20O6/c1-20-13-8-6-7-12(16(13)22-3)11-9-10-14(21-2)17(23-4)18(24-5)15(11)19/h6-10H,1-5H3
InChIKeyJDUPOSDWPBDZEO-UHFFFAOYSA-N
XLogP2.76
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-7-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 72714989
4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
CID 10742444
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106521195
1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone
CID 61033108
5-chloro-2-(2,3-dimethoxyphenyl)aniline
CID 82794309
2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde
CID 87722000
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
6-methoxyphenalene-1,3-dione
CID 22763709
1-(2,5-difluorophenyl)-2,3-dimethoxybenzene
CID 165476912
[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenyl] 2-methylpropanoate
CID 89420964

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one?
The IUPAC name of 7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one (CID 10782790) is 7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one is COc1cccc(-c2ccc(OC)c(OC)c(OC)c2=O)c1OC.
What is the InChIKey of 7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one?
The InChIKey is JDUPOSDWPBDZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-20-13-8-6-7-12(16(13)22-3)11-9-10-14(21-2)17(23-4)18(24-5)15(11)19/h6-10H,1-5H3.
What are the key properties of 7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one?
7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one has a molecular weight of 332.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 10782790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).