(2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one

C29H30O8 — CID 70693820

IUPAC(2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one
SMILESCOc1ccc(/C=C2\C(=O)c3cc(OC)c(OC)c(OC)c3C2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C29H30O8/c1-31-18-10-8-16(9-11-18)12-19-24(17-13-21(32-2)27(35-5)22(14-17)33-3)25-20(26(19)30)15-23(34-4)28(36-6)29(25)37-7/h8-15,24H,1-7H3/b19-12-
InChIKeyJBLOWAJVLIBVJP-UNOMPAQXSA-N
MW506.55 g/mol
LogP5.16
Rot. Bonds9

About (2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one

(2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one (PubChem CID 70693820) has the molecular formula C29H30O8 and a molecular weight of 506.55 g/mol. Its IUPAC name is (2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one
PubChem CID70693820
Molecular FormulaC29H30O8
Molecular Weight506.55 g/mol
Exact Mass506.19
IUPAC Name(2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one
SMILESCOc1ccc(/C=C2\C(=O)c3cc(OC)c(OC)c(OC)c3C2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C29H30O8/c1-31-18-10-8-16(9-11-18)12-19-24(17-13-21(32-2)27(35-5)22(14-17)33-3)25-20(26(19)30)15-23(34-4)28(36-6)29(25)37-7/h8-15,24H,1-7H3/b19-12-
InChIKeyJBLOWAJVLIBVJP-UNOMPAQXSA-N
XLogP5.16
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-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 (2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one?
The IUPAC name of (2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one (CID 70693820) is (2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one.
What is the SMILES notation for (2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one?
The canonical SMILES for (2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one is COc1ccc(/C=C2\C(=O)c3cc(OC)c(OC)c(OC)c3C2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of (2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one?
The InChIKey is JBLOWAJVLIBVJP-UNOMPAQXSA-N. The full InChI is InChI=1S/C29H30O8/c1-31-18-10-8-16(9-11-18)12-19-24(17-13-21(32-2)27(35-5)22(14-17)33-3)25-20(26(19)30)15-23(34-4)28(36-6)29(25)37-7/h8-15,24H,1-7H3/b19-12-.
What are the key properties of (2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one?
(2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one has a molecular weight of 506.55 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4,5,6-trimethoxy-2-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-3H-inden-1-one is sourced from PubChem (CID 70693820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).