2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid

C14H18O2 — CID 142773351

IUPAC2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid
SMILESCCC(C(=O)O)C1CCc2ccccc2C1
InChIInChI=1S/C14H18O2/c1-2-13(14(15)16)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12-13H,2,7-9H2,1H3,(H,15,16)
InChIKeyRPKYULJTGLXUSX-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.90
Rot. Bonds3

About 2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid

2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid (PubChem CID 142773351) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid
PubChem CID142773351
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid
SMILESCCC(C(=O)O)C1CCc2ccccc2C1
InChIInChI=1S/C14H18O2/c1-2-13(14(15)16)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12-13H,2,7-9H2,1H3,(H,15,16)
InChIKeyRPKYULJTGLXUSX-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol
CID 82920523
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
1-(1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-ol
CID 65410598
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65409816
[2-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butyl]hydrazine
CID 105234691
2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane
CID 178025111
(2-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 65410998
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 62305780
1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 91218484
2-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404384
2-cycloheptylbutanoic acid
CID 79007061
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid (CID 142773351) is 2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid is CCC(C(=O)O)C1CCc2ccccc2C1.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid?
The InChIKey is RPKYULJTGLXUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-13(14(15)16)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12-13H,2,7-9H2,1H3,(H,15,16).
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid?
2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid has a molecular weight of 218.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid is sourced from PubChem (CID 142773351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).