5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid

C18H18O2 — CID 23341007

IUPAC5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCc1cccc(Cc2ccc3c(c2)CC(C(=O)O)C3)c1
InChIInChI=1S/C18H18O2/c1-12-3-2-4-13(7-12)8-14-5-6-15-10-17(18(19)20)11-16(15)9-14/h2-7,9,17H,8,10-11H2,1H3,(H,19,20)
InChIKeyLANRIBGRMVPYJR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.39
Rot. Bonds3

About 5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid

5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 23341007) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID23341007
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCc1cccc(Cc2ccc3c(c2)CC(C(=O)O)C3)c1
InChIInChI=1S/C18H18O2/c1-12-3-2-4-13(7-12)8-14-5-6-15-10-17(18(19)20)11-16(15)9-14/h2-7,9,17H,8,10-11H2,1H3,(H,19,20)
InChIKeyLANRIBGRMVPYJR-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 110082239
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3-[methyl-[(3-methylphenyl)methyl]amino]cyclobutane-1-carboxylic acid
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CID 106499162
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CID 20706895
2-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
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2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid (CID 23341007) is 5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid is Cc1cccc(Cc2ccc3c(c2)CC(C(=O)O)C3)c1.
What is the InChIKey of 5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is LANRIBGRMVPYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12-3-2-4-13(7-12)8-14-5-6-15-10-17(18(19)20)11-16(15)9-14/h2-7,9,17H,8,10-11H2,1H3,(H,19,20).
What are the key properties of 5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid?
5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 23341007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).