1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid

C15H20O2 — CID 65408733

IUPAC1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
SMILESCCC(C)CC1(C(=O)O)CCc2ccccc21
InChIInChI=1S/C15H20O2/c1-3-11(2)10-15(14(16)17)9-8-12-6-4-5-7-13(12)15/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyNQIKARIIEXSNTP-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.39
Rot. Bonds4

About 1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid

1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid (PubChem CID 65408733) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
PubChem CID65408733
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
SMILESCCC(C)CC1(C(=O)O)CCc2ccccc21
InChIInChI=1S/C15H20O2/c1-3-11(2)10-15(14(16)17)9-8-12-6-4-5-7-13(12)15/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyNQIKARIIEXSNTP-UHFFFAOYSA-N
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-hydroxypropyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79425052
1-heptyl-2,3-dihydroindene-1-carboxylic acid
CID 65406431
1-(2-propan-2-ylsulfonylethyl)-2,3-dihydroindene-1-carboxylic acid
CID 106734122
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 79428309
1-but-2-enyl-2,3-dihydroindene-1-carboxylic acid
CID 79428785
1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid
CID 79429175
5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147296
1-pentyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402868
1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
CID 65409313
N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
CID 63502125
1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid
CID 79429267
[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 63521983

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid (CID 65408733) is 1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid is CCC(C)CC1(C(=O)O)CCc2ccccc21.
What is the InChIKey of 1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is NQIKARIIEXSNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-11(2)10-15(14(16)17)9-8-12-6-4-5-7-13(12)15/h4-7,11H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid?
1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 65408733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).