2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid

C23H24O6 — CID 54456864

IUPAC2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid
SMILESCOc1ccc2c(c1)C(CC(=O)O)=C(C)C2=Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C23H24O6/c1-13-17(10-14-6-9-20(27-3)23(29-5)22(14)28-4)16-8-7-15(26-2)11-19(16)18(13)12-21(24)25/h6-11H,12H2,1-5H3,(H,24,25)
InChIKeyWYUOAVJLGFMBLE-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.52
Rot. Bonds7

About 2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid

2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid (PubChem CID 54456864) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid
PubChem CID54456864
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid
SMILESCOc1ccc2c(c1)C(CC(=O)O)=C(C)C2=Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C23H24O6/c1-13-17(10-14-6-9-20(27-3)23(29-5)22(14)28-4)16-8-7-15(26-2)11-19(16)18(13)12-21(24)25/h6-11H,12H2,1-5H3,(H,24,25)
InChIKeyWYUOAVJLGFMBLE-UHFFFAOYSA-N
XLogP4.52
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
CID 10150304
2-[(3Z)-3-[(4-bromo-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
CID 146478126
2-[3-[[4-(dimethylamino)phenyl]methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
CID 146446794
2-[6-methoxy-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
CID 54018478
2-[(3Z)-6-chloro-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid
CID 10172985
2-[6-fluoro-3-[(4-methoxyphenyl)methylidene]-2-methylinden-1-yl]acetic acid
CID 54372171
2-(2,5-dimethoxyphenyl)acetic acid;(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
CID 70284395
2-[(3Z)-6-fluoro-3-[[2-methoxy-4-(4-propan-2-ylphenoxy)phenyl]methylidene]-2-methylinden-1-yl]acetic acid
CID 166887595
2-[5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid
CID 135329124
2-[(3Z)-6-chloro-3-[(3,4-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetic acid
CID 10215739
2-[6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 135239113
2-[2,6-dimethoxy-4-[(Z)-[5-methoxy-2-methyl-3-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethyl]inden-1-ylidene]methyl]phenyl]acetic acid
CID 153356392

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid?
The IUPAC name of 2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid (CID 54456864) is 2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid.
What is the SMILES notation for 2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid?
The canonical SMILES for 2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid is COc1ccc2c(c1)C(CC(=O)O)=C(C)C2=Cc1ccc(OC)c(OC)c1OC.
What is the InChIKey of 2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid?
The InChIKey is WYUOAVJLGFMBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O6/c1-13-17(10-14-6-9-20(27-3)23(29-5)22(14)28-4)16-8-7-15(26-2)11-19(16)18(13)12-21(24)25/h6-11H,12H2,1-5H3,(H,24,25).
What are the key properties of 2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid?
2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid has a molecular weight of 396.44 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid is sourced from PubChem (CID 54456864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).