1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C17H22O3 — CID 115058091

IUPAC1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCOc1cccc2c1CCC(C(=O)O)C2C1CCCC1
InChIInChI=1S/C17H22O3/c1-20-15-8-4-7-13-12(15)9-10-14(17(18)19)16(13)11-5-2-3-6-11/h4,7-8,11,14,16H,2-3,5-6,9-10H2,1H3,(H,18,19)
InChIKeyJFPVALRENNTPAZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.62
Rot. Bonds3

About 1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 115058091) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID115058091
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCOc1cccc2c1CCC(C(=O)O)C2C1CCCC1
InChIInChI=1S/C17H22O3/c1-20-15-8-4-7-13-12(15)9-10-14(17(18)19)16(13)11-5-2-3-6-11/h4,7-8,11,14,16H,2-3,5-6,9-10H2,1H3,(H,18,19)
InChIKeyJFPVALRENNTPAZ-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057978
2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 105481651
2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 83910520
7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline
CID 83887769
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057981
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057152
2-(2-chloro-6-methoxyphenyl)oxane-3-carboxylic acid
CID 104818912
1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 72942489
2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide;hydrochloride
CID 120591605

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 115058091) is 1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is COc1cccc2c1CCC(C(=O)O)C2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is JFPVALRENNTPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-20-15-8-4-7-13-12(15)9-10-14(17(18)19)16(13)11-5-2-3-6-11/h4,7-8,11,14,16H,2-3,5-6,9-10H2,1H3,(H,18,19).
What are the key properties of 1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115058091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).