2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione

C24H24O6 — CID 11038757

IUPAC2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
SMILESCOc1ccc(OC)c(C2=C(c3cc(OC)ccc3OC)C(=O)C(C)=C(C)C2=O)c1
InChIInChI=1S/C24H24O6/c1-13-14(2)24(26)22(18-12-16(28-4)8-10-20(18)30-6)21(23(13)25)17-11-15(27-3)7-9-19(17)29-5/h7-12H,1-6H3
InChIKeyFJRUNQVPGVQALR-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.12
Rot. Bonds6

About 2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione

2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione (PubChem CID 11038757) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
PubChem CID11038757
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
SMILESCOc1ccc(OC)c(C2=C(c3cc(OC)ccc3OC)C(=O)C(C)=C(C)C2=O)c1
InChIInChI=1S/C24H24O6/c1-13-14(2)24(26)22(18-12-16(28-4)8-10-20(18)30-6)21(23(13)25)17-11-15(27-3)7-9-19(17)29-5/h7-12H,1-6H3
InChIKeyFJRUNQVPGVQALR-UHFFFAOYSA-N
XLogP4.12
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.12
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2,3-dimethylinden-1-one
CID 71441575
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-(2,5-dimethoxyphenyl)-7-methoxycyclohepta-2,4,6-trien-1-one
CID 617857
2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one
CID 43286773
3-amino-2-(3,4-dimethoxyphenyl)-5-methoxyinden-1-one
CID 15882763
6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 71476627
5-methoxy-2-[4-[4-(5-methoxy-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
CID 171734451
4-(2,5-dimethoxyphenyl)-2-methylphenol
CID 53219026
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
3-methoxy-6-methylcyclohepta-2,4,6-trien-1-one
CID 13159350
2-methoxybicyclo[3.1.1]hepta-1,3,5(7)-trien-6-one
CID 174663603

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione (CID 11038757) is 2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione is COc1ccc(OC)c(C2=C(c3cc(OC)ccc3OC)C(=O)C(C)=C(C)C2=O)c1.
What is the InChIKey of 2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is FJRUNQVPGVQALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O6/c1-13-14(2)24(26)22(18-12-16(28-4)8-10-20(18)30-6)21(23(13)25)17-11-15(27-3)7-9-19(17)29-5/h7-12H,1-6H3.
What are the key properties of 2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione?
2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 408.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 11038757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).