2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid

C12H13ClO3 — CID 117354065

IUPAC2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2c(c(Cl)c1O)CCC2
InChIInChI=1S/C12H13ClO3/c1-6(12(15)16)9-5-7-3-2-4-8(7)10(13)11(9)14/h5-6,14H,2-4H2,1H3,(H,15,16)
InChIKeyFGFUYMRZEHQCRS-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.72
Rot. Bonds2

About 2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid

2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid (PubChem CID 117354065) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
PubChem CID117354065
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2c(c(Cl)c1O)CCC2
InChIInChI=1S/C12H13ClO3/c1-6(12(15)16)9-5-7-3-2-4-8(7)10(13)11(9)14/h5-6,14H,2-4H2,1H3,(H,15,16)
InChIKeyFGFUYMRZEHQCRS-UHFFFAOYSA-N
XLogP2.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117390078
2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanoic acid
CID 117454483
methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
CID 117429650
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117481875
1-(4-chloro-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethanone
CID 84700903
3-(3-chloro-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117425398
2-(4-chloro-3-hydroxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117425370
2-[1-(1-aminoethyl)cyclopropyl]-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117449103
1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid
CID 117493667
2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 84811622
3-(4-chloro-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-methylbutanoic acid
CID 117478182
2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117454978

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The IUPAC name of 2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid (CID 117354065) is 2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid.
What is the SMILES notation for 2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The canonical SMILES for 2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid is CC(C(=O)O)c1cc2c(c(Cl)c1O)CCC2.
What is the InChIKey of 2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The InChIKey is FGFUYMRZEHQCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-6(12(15)16)9-5-7-3-2-4-8(7)10(13)11(9)14/h5-6,14H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid?
2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid has a molecular weight of 240.69 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid is sourced from PubChem (CID 117354065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).