2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid

C18H18O2 — CID 65406805

IUPAC2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc(CC2(C(=O)O)Cc3ccccc3C2)cc1
InChIInChI=1S/C18H18O2/c1-13-6-8-14(9-7-13)10-18(17(19)20)11-15-4-2-3-5-16(15)12-18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyYDGVUCDDVZXROU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.41
Rot. Bonds3

About 2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid

2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 65406805) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID65406805
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc(CC2(C(=O)O)Cc3ccccc3C2)cc1
InChIInChI=1S/C18H18O2/c1-13-6-8-14(9-7-13)10-18(17(19)20)11-15-4-2-3-5-16(15)12-18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyYDGVUCDDVZXROU-UHFFFAOYSA-N
XLogP3.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65407765
2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 103041925
4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 112745348
2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
CID 65407568
1-benzylcyclopropane-1-carboxylic acid
CID 562561
2-[(3-bromothiophen-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65408531
1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 123851701
3-[(4-chlorophenyl)methyl]-2,4-dihydrochromene-3-carboxylic acid
CID 65406792
methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate
CID 164673470
2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 65408357
2-(tert-butylsulfanylmethyl)-1,3-dihydroindene-2-carboxylic acid
CID 15814378
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid (CID 65406805) is 2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid is Cc1ccc(CC2(C(=O)O)Cc3ccccc3C2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is YDGVUCDDVZXROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-6-8-14(9-7-13)10-18(17(19)20)11-15-4-2-3-5-16(15)12-18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid?
2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 65406805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).