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

C16H22O3 — CID 112507670

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid
SMILESCCCCC(O)(CC(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H22O3/c1-2-3-9-16(19,11-15(17)18)14-8-7-12-5-4-6-13(12)10-14/h7-8,10,19H,2-6,9,11H2,1H3,(H,17,18)
InChIKeyZGDGOJPTRYISSK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.03
Rot. Bonds6

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

3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid (PubChem CID 112507670) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid
PubChem CID112507670
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid
SMILESCCCCC(O)(CC(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H22O3/c1-2-3-9-16(19,11-15(17)18)14-8-7-12-5-4-6-13(12)10-14/h7-8,10,19H,2-6,9,11H2,1H3,(H,17,18)
InChIKeyZGDGOJPTRYISSK-UHFFFAOYSA-N
XLogP3.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol
CID 114194197
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene
CID 144532564
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol
CID 66059336
3-hydroxy-3-phenylheptanamide
CID 11253019
3-(2,3-dihydro-1H-inden-5-yl)-2,2-difluoropropanoic acid
CID 116838219
1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 17267646
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 82086851
6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol
CID 115515280
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide
CID 115172769
N-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 101124562
N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 10999367

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid (CID 112507670) is 3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid is CCCCC(O)(CC(=O)O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid?
The InChIKey is ZGDGOJPTRYISSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-2-3-9-16(19,11-15(17)18)14-8-7-12-5-4-6-13(12)10-14/h7-8,10,19H,2-6,9,11H2,1H3,(H,17,18).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid?
3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyheptanoic acid is sourced from PubChem (CID 112507670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).