4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid

C24H28O2 — CID 11725331

IUPAC4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid
SMILESC=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C24H28O2/c1-14-12-20-21(24(6,7)16(3)23(20,4)5)13-19(14)15(2)17-8-10-18(11-9-17)22(25)26/h8-13,16H,2H2,1,3-7H3,(H,25,26)
InChIKeyKNVNYVWRFXGLRO-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.96
Rot. Bonds3

About 4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid

4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid (PubChem CID 11725331) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid
PubChem CID11725331
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid
SMILESC=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C24H28O2/c1-14-12-20-21(24(6,7)16(3)23(20,4)5)13-19(14)15(2)17-8-10-18(11-9-17)22(25)26/h8-13,16H,2H2,1,3-7H3,(H,25,26)
InChIKeyKNVNYVWRFXGLRO-UHFFFAOYSA-N
XLogP5.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid 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 4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid?
The IUPAC name of 4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid (CID 11725331) is 4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid.
What is the SMILES notation for 4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid?
The canonical SMILES for 4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid is C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)C(C)C2(C)C.
What is the InChIKey of 4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid?
The InChIKey is KNVNYVWRFXGLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-14-12-20-21(24(6,7)16(3)23(20,4)5)13-19(14)15(2)17-8-10-18(11-9-17)22(25)26/h8-13,16H,2H2,1,3-7H3,(H,25,26).
What are the key properties of 4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid?
4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid has a molecular weight of 348.49 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid is sourced from PubChem (CID 11725331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).