7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one

C30H28O6 — CID 5377043

IUPAC7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one
SMILESCOc1cc2oc(=O)ccc2cc1/C=C/C1(C)CCC(C)=CC1c1cc2ccc(=O)oc2cc1OC
InChIInChI=1S/C30H28O6/c1-18-9-11-30(2,12-10-21-14-19-5-7-28(31)35-25(19)16-24(21)33-3)23(13-18)22-15-20-6-8-29(32)36-26(20)17-27(22)34-4/h5-8,10,12-17,23H,9,11H2,1-4H3/b12-10+
InChIKeySWGAQLQAABDHGT-ZRDIBKRKSA-N
MW484.55 g/mol
LogP6.46
Rot. Bonds5

About 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one

7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one (PubChem CID 5377043) has the molecular formula C30H28O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one
PubChem CID5377043
Molecular FormulaC30H28O6
Molecular Weight484.55 g/mol
Exact Mass484.19
IUPAC Name7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one
SMILESCOc1cc2oc(=O)ccc2cc1/C=C/C1(C)CCC(C)=CC1c1cc2ccc(=O)oc2cc1OC
InChIInChI=1S/C30H28O6/c1-18-9-11-30(2,12-10-21-14-19-5-7-28(31)35-25(19)16-24(21)33-3)23(13-18)22-15-20-6-8-29(32)36-26(20)17-27(22)34-4/h5-8,10,12-17,23H,9,11H2,1-4H3/b12-10+
InChIKeySWGAQLQAABDHGT-ZRDIBKRKSA-N
XLogP6.46
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one?
The IUPAC name of 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one (CID 5377043) is 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one?
The canonical SMILES for 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one is COc1cc2oc(=O)ccc2cc1/C=C/C1(C)CCC(C)=CC1c1cc2ccc(=O)oc2cc1OC.
What is the InChIKey of 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one?
The InChIKey is SWGAQLQAABDHGT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C30H28O6/c1-18-9-11-30(2,12-10-21-14-19-5-7-28(31)35-25(19)16-24(21)33-3)23(13-18)22-15-20-6-8-29(32)36-26(20)17-27(22)34-4/h5-8,10,12-17,23H,9,11H2,1-4H3/b12-10+.
What are the key properties of 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one?
7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one has a molecular weight of 484.55 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one is sourced from PubChem (CID 5377043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).