2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione

C16H16O6 — CID 10638196

IUPAC2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione
SMILESCOC1=CC(=O)C(c2cc(OC)c(OC)c(OC)c2)=CC1=O
InChIInChI=1S/C16H16O6/c1-19-13-8-11(17)10(7-12(13)18)9-5-14(20-2)16(22-4)15(6-9)21-3/h5-8H,1-4H3
InChIKeyNEPXPWQIXAAKGP-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.78
Rot. Bonds5

About 2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione

2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 10638196) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID10638196
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione
SMILESCOC1=CC(=O)C(c2cc(OC)c(OC)c(OC)c2)=CC1=O
InChIInChI=1S/C16H16O6/c1-19-13-8-11(17)10(7-12(13)18)9-5-14(20-2)16(22-4)15(6-9)21-3/h5-8H,1-4H3
InChIKeyNEPXPWQIXAAKGP-UHFFFAOYSA-N
XLogP1.78
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

3,4-bis(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 122205259
2,7,8-trimethoxynaphthalene-1,4-dione
CID 71387360
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46185200
2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one
CID 166453589
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
acetyl chloride;2,3-dimethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 87951473
2-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]cyclohexa-2,5-diene-1,4-dione
CID 89362847
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317
4-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3-oxazol-5-one
CID 102578079
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione (CID 10638196) is 2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione is COC1=CC(=O)C(c2cc(OC)c(OC)c(OC)c2)=CC1=O.
What is the InChIKey of 2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is NEPXPWQIXAAKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-19-13-8-11(17)10(7-12(13)18)9-5-14(20-2)16(22-4)15(6-9)21-3/h5-8H,1-4H3.
What are the key properties of 2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione?
2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 304.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 10638196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).