1-heptyl-2,3-dihydroindene-1-carboxylic acid

C17H24O2 — CID 65406431

IUPAC1-heptyl-2,3-dihydroindene-1-carboxylic acid
SMILESCCCCCCCC1(C(=O)O)CCc2ccccc21
InChIInChI=1S/C17H24O2/c1-2-3-4-5-8-12-17(16(18)19)13-11-14-9-6-7-10-15(14)17/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,18,19)
InChIKeyTVCKBRVQPRMKAS-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.32
Rot. Bonds7

About 1-heptyl-2,3-dihydroindene-1-carboxylic acid

1-heptyl-2,3-dihydroindene-1-carboxylic acid (PubChem CID 65406431) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-heptyl-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-heptyl-2,3-dihydroindene-1-carboxylic acid
PubChem CID65406431
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-heptyl-2,3-dihydroindene-1-carboxylic acid
SMILESCCCCCCCC1(C(=O)O)CCc2ccccc21
InChIInChI=1S/C17H24O2/c1-2-3-4-5-8-12-17(16(18)19)13-11-14-9-6-7-10-15(14)17/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,18,19)
InChIKeyTVCKBRVQPRMKAS-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-heptyl-2,3-dihydroindene-1-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

1-pentyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402868
1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid
CID 79429175
1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide
CID 54171569
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 79428309
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 104648534
1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 65408733
1-(2-propan-2-ylsulfonylethyl)-2,3-dihydroindene-1-carboxylic acid
CID 106734122
1-(2-propylsulfonylethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 106727810
1-(4-iodobutyl)-N-propyl-2,3-dihydroindene-1-carboxamide
CID 54457633
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419
1-but-2-enyl-2,3-dihydroindene-1-carboxylic acid
CID 79428785
5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147147

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-heptyl-2,3-dihydroindene-1-carboxylic acid (CID 65406431) is 1-heptyl-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-heptyl-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-heptyl-2,3-dihydroindene-1-carboxylic acid is CCCCCCCC1(C(=O)O)CCc2ccccc21.
What is the InChIKey of 1-heptyl-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is TVCKBRVQPRMKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-3-4-5-8-12-17(16(18)19)13-11-14-9-6-7-10-15(14)17/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,18,19).
What are the key properties of 1-heptyl-2,3-dihydroindene-1-carboxylic acid?
1-heptyl-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 260.38 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 65406431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).