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

C16H19ClO2 — CID 115057981

IUPAC7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccc(Cl)cc2C1C1CCCC1
InChIInChI=1S/C16H19ClO2/c17-12-7-5-10-6-8-13(16(18)19)15(14(10)9-12)11-3-1-2-4-11/h5,7,9,11,13,15H,1-4,6,8H2,(H,18,19)
InChIKeyBBJJOGMEHVPURQ-UHFFFAOYSA-N
MW278.78 g/mol
LogP4.26
Rot. Bonds2

About 7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 115057981) has the molecular formula C16H19ClO2 and a molecular weight of 278.78 g/mol. Its IUPAC name is 7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID115057981
Molecular FormulaC16H19ClO2
Molecular Weight278.78 g/mol
Exact Mass278.11
IUPAC Name7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccc(Cl)cc2C1C1CCCC1
InChIInChI=1S/C16H19ClO2/c17-12-7-5-10-6-8-13(16(18)19)15(14(10)9-12)11-3-1-2-4-11/h5,7,9,11,13,15H,1-4,6,8H2,(H,18,19)
InChIKeyBBJJOGMEHVPURQ-UHFFFAOYSA-N
XLogP4.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057986
7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057000
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057978
2-(2,5-dichlorophenyl)cycloheptane-1-carboxylic acid
CID 79015259
6-chloro-2,3-dihydro-1H-inden-1-ol
CID 42614780
2-chloro-1-(7-chloro-1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 59396503
1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115058091
[(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 151448831
6-chloro-1-fluoro-2,3-dihydro-1H-indene
CID 84717388
7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057019
7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 67537734
6-chloro-N-cyclopentyl-2,3-dihydro-1H-inden-1-amine
CID 115867576

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 115057981) is 7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is O=C(O)C1CCc2ccc(Cl)cc2C1C1CCCC1.
What is the InChIKey of 7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is BBJJOGMEHVPURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO2/c17-12-7-5-10-6-8-13(16(18)19)15(14(10)9-12)11-3-1-2-4-11/h5,7,9,11,13,15H,1-4,6,8H2,(H,18,19).
What are the key properties of 7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 278.78 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).