2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid

C13H15ClO2 — CID 105422430

IUPAC2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid
SMILESCC(C(=O)O)C1CCc2cccc(Cl)c2C1
InChIInChI=1S/C13H15ClO2/c1-8(13(15)16)10-6-5-9-3-2-4-12(14)11(9)7-10/h2-4,8,10H,5-7H2,1H3,(H,15,16)
InChIKeyCYAPTSGUUDRPLR-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.17
Rot. Bonds2

About 2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid

2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid (PubChem CID 105422430) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid
PubChem CID105422430
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid
SMILESCC(C(=O)O)C1CCc2cccc(Cl)c2C1
InChIInChI=1S/C13H15ClO2/c1-8(13(15)16)10-6-5-9-3-2-4-12(14)11(9)7-10/h2-4,8,10H,5-7H2,1H3,(H,15,16)
InChIKeyCYAPTSGUUDRPLR-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid?
The IUPAC name of 2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid (CID 105422430) is 2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid?
The canonical SMILES for 2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid is CC(C(=O)O)C1CCc2cccc(Cl)c2C1.
What is the InChIKey of 2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid?
The InChIKey is CYAPTSGUUDRPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-8(13(15)16)10-6-5-9-3-2-4-12(14)11(9)7-10/h2-4,8,10H,5-7H2,1H3,(H,15,16).
What are the key properties of 2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid?
2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid has a molecular weight of 238.71 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 105422430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).