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

C18H18O2 — CID 65407765

IUPAC2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(CC2(C(=O)O)Cc3ccccc3C2)c1
InChIInChI=1S/C18H18O2/c1-13-5-4-6-14(9-13)10-18(17(19)20)11-15-7-2-3-8-16(15)12-18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyFYBMBPILUWOGDZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.41
Rot. Bonds3

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

2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 65407765) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID65407765
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(CC2(C(=O)O)Cc3ccccc3C2)c1
InChIInChI=1S/C18H18O2/c1-13-5-4-6-14(9-13)10-18(17(19)20)11-15-7-2-3-8-16(15)12-18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyFYBMBPILUWOGDZ-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

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Related Compounds

2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65406805
4-methyl-1-[(3-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 65393242
3-[(3-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63141083
2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 103041925
methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929872
2-[2-[4-(dimethylamino)-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 58318454
2-[2-[4-(carboxymethoxy)-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 58318470
2-[2-[3-[2-(3-methylphenyl)ethoxy]-4-propan-2-yloxyphenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 58318374
2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
CID 65407568
methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate
CID 164673470
2-[2-[5-ethyl-4-[2-(3-methylphenyl)ethoxy]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 58318452
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid (CID 65407765) is 2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid is Cc1cccc(CC2(C(=O)O)Cc3ccccc3C2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is FYBMBPILUWOGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-5-4-6-14(9-13)10-18(17(19)20)11-15-7-2-3-8-16(15)12-18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid?
2-[(3-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-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 65407765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).