3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid

C15H20O2 — CID 82045624

IUPAC3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid
SMILESCCCC(CC(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20O2/c1-2-4-12(10-15(16)17)14-8-7-11-5-3-6-13(11)9-14/h7-9,12H,2-6,10H2,1H3,(H,16,17)
InChIKeyOVIZUDLTWLSUEG-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.53
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid

3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid (PubChem CID 82045624) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid
PubChem CID82045624
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid
SMILESCCCC(CC(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20O2/c1-2-4-12(10-15(16)17)14-8-7-11-5-3-6-13(11)9-14/h7-9,12H,2-6,10H2,1H3,(H,16,17)
InChIKeyOVIZUDLTWLSUEG-UHFFFAOYSA-N
XLogP3.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid
CID 82049898
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
3-(4-methylphenyl)hexanoic acid
CID 23456891
3-(3-amino-4-chlorophenyl)hexanoic acid
CID 67216299
4-(1-carboxypentan-2-yl)benzoic acid
CID 83959455
5-(4-phenylhept-1-en-2-yl)-2,3-dihydro-1H-indene
CID 143626102
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile
CID 82076345
(3S)-3-(4-fluoro-3-methoxyphenyl)hexanoic acid
CID 67429586
3-(3,5-difluorophenyl)hexanoic acid
CID 82081317
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid (CID 82045624) is 3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid is CCCC(CC(=O)O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid?
The InChIKey is OVIZUDLTWLSUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-4-12(10-15(16)17)14-8-7-11-5-3-6-13(11)9-14/h7-9,12H,2-6,10H2,1H3,(H,16,17).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid?
3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid is sourced from PubChem (CID 82045624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).