(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid

C10H10O3 — CID 124547289

IUPAC(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)[C@H]1CCc2cccc(O)c21
InChIInChI=1S/C10H10O3/c11-8-3-1-2-6-4-5-7(9(6)8)10(12)13/h1-3,7,11H,4-5H2,(H,12,13)/t7-/m0/s1
InChIKeyQBQLBBVEKRXFGH-ZETCQYMHSA-N
MW178.19 g/mol
LogP1.51
Rot. Bonds1

About (1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid

(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 124547289) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID124547289
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)[C@H]1CCc2cccc(O)c21
InChIInChI=1S/C10H10O3/c11-8-3-1-2-6-4-5-7(9(6)8)10(12)13/h1-3,7,11H,4-5H2,(H,12,13)/t7-/m0/s1
InChIKeyQBQLBBVEKRXFGH-ZETCQYMHSA-N
XLogP1.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(dimethylamino)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 112709090
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 105485221
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
(7-hydroxy-2,3-dihydro-1H-inden-1-yl)-[(1S,6R)-1-(hydroxymethyl)-2-azabicyclo[4.1.0]heptan-2-yl]methanone
CID 138013934
8-methyl-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 115010745
N-[(5-bromopyrimidin-2-yl)methyl]-7-hydroxy-2,3-dihydro-1H-indene-1-carboxamide
CID 136567536
6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82127851
(3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol
CID 129390412
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115056927
7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 138037761

Frequently Asked Questions

What is the IUPAC name of (1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of (1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid (CID 124547289) is (1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for (1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for (1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid is O=C(O)[C@H]1CCc2cccc(O)c21.
What is the InChIKey of (1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is QBQLBBVEKRXFGH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10O3/c11-8-3-1-2-6-4-5-7(9(6)8)10(12)13/h1-3,7,11H,4-5H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 124547289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).