1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C16H20O2 — CID 115057978

IUPAC1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccccc2C1C1CCCC1
InChIInChI=1S/C16H20O2/c17-16(18)14-10-9-11-5-3-4-8-13(11)15(14)12-6-1-2-7-12/h3-5,8,12,14-15H,1-2,6-7,9-10H2,(H,17,18)
InChIKeyXAUQYLGWKSIMJG-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.61
Rot. Bonds2

About 1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 115057978) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID115057978
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccccc2C1C1CCCC1
InChIInChI=1S/C16H20O2/c17-16(18)14-10-9-11-5-3-4-8-13(11)15(14)12-6-1-2-7-12/h3-5,8,12,14-15H,1-2,6-7,9-10H2,(H,17,18)
InChIKeyXAUQYLGWKSIMJG-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057981
1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057986
1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115058091
1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 18477073
(2S,4R)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-triene-3-carboxylic acid
CID 21356022
5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
CID 59125395
1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
CID 69102242
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 12515647
anthracene;cyclohexane-1,2-dicarboxylic acid
CID 160819171

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 115057978) is 1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is O=C(O)C1CCc2ccccc2C1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is XAUQYLGWKSIMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-16(18)14-10-9-11-5-3-4-8-13(11)15(14)12-6-1-2-7-12/h3-5,8,12,14-15H,1-2,6-7,9-10H2,(H,17,18).
What are the key properties of 1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 244.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).