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

C14H12O4 — CID 5314839

IUPAC2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
SMILESCOC1=CC(=O)C(c2ccc(OC)cc2)=CC1=O
InChIInChI=1S/C14H12O4/c1-17-10-5-3-9(4-6-10)11-7-13(16)14(18-2)8-12(11)15/h3-8H,1-2H3
InChIKeyBFTXHSZUYPLJBI-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.76
Rot. Bonds3

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

2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 5314839) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID5314839
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
SMILESCOC1=CC(=O)C(c2ccc(OC)cc2)=CC1=O
InChIInChI=1S/C14H12O4/c1-17-10-5-3-9(4-6-10)11-7-13(16)14(18-2)8-12(11)15/h3-8H,1-2H3
InChIKeyBFTXHSZUYPLJBI-UHFFFAOYSA-N
XLogP1.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione
CID 10489521
(5Z)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
CID 11587605
1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione
CID 11298944
4-methoxy-6-(4-methoxyphenyl)pyran-2-one
CID 13237931
3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 150304868
2-(4-methoxyphenyl)-6-(2-phenylethenyl)cyclohexa-2,5-diene-1,4-dione
CID 91561910
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-(4-methoxyphenyl)pyridin-1-ium
CID 132526001
3-(4-methoxyphenyl)-4-methylcyclobut-3-ene-1,2-dione
CID 14737857
1-(113C)methoxy-4-methylbenzene
CID 166176950
(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
CID 134846246
CID 102206658
CID 102206658

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione (CID 5314839) is 2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione is COC1=CC(=O)C(c2ccc(OC)cc2)=CC1=O.
What is the InChIKey of 2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is BFTXHSZUYPLJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-17-10-5-3-9(4-6-10)11-7-13(16)14(18-2)8-12(11)15/h3-8H,1-2H3.
What are the key properties of 2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione?
2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 244.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 5314839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).