1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid

C17H18O2 — CID 115057687

IUPAC1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid
SMILESCc1ccc2ccc(C(=O)O)c(C3CCCC3)c2c1
InChIInChI=1S/C17H18O2/c1-11-6-7-12-8-9-14(17(18)19)16(15(12)10-11)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,18,19)
InChIKeyWTIAKOHWMAFKFZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.50
Rot. Bonds2

About 1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid

1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid (PubChem CID 115057687) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid
PubChem CID115057687
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid
SMILESCc1ccc2ccc(C(=O)O)c(C3CCCC3)c2c1
InChIInChI=1S/C17H18O2/c1-11-6-7-12-8-9-14(17(18)19)16(15(12)10-11)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,18,19)
InChIKeyWTIAKOHWMAFKFZ-UHFFFAOYSA-N
XLogP4.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid?
The IUPAC name of 1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid (CID 115057687) is 1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid is Cc1ccc2ccc(C(=O)O)c(C3CCCC3)c2c1.
What is the InChIKey of 1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid?
The InChIKey is WTIAKOHWMAFKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11-6-7-12-8-9-14(17(18)19)16(15(12)10-11)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,18,19).
What are the key properties of 1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid?
1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).