1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C17H22O2 — CID 62740447

IUPAC1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESO=C(O)C1(CC2CCCC2)CCCc2ccccc21
InChIInChI=1S/C17H22O2/c18-16(19)17(12-13-6-1-2-7-13)11-5-9-14-8-3-4-10-15(14)17/h3-4,8,10,13H,1-2,5-7,9,11-12H2,(H,18,19)
InChIKeyHOLDINDPDRZTCC-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.93
Rot. Bonds3

About 1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 62740447) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID62740447
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESO=C(O)C1(CC2CCCC2)CCCc2ccccc21
InChIInChI=1S/C17H22O2/c18-16(19)17(12-13-6-1-2-7-13)11-5-9-14-8-3-4-10-15(14)17/h3-4,8,10,13H,1-2,5-7,9,11-12H2,(H,18,19)
InChIKeyHOLDINDPDRZTCC-UHFFFAOYSA-N
XLogP3.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-hydroxypropyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79425052
1-pentyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402868
1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402869
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 104648534
1-(2-propylsulfonylethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 106727810
1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
CID 61001988
5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407550
1-[(6-chloro-3-pyridinyl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83067632
ethyl (1S)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 155818705
(1S)-1-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 67733183
1-(2-hydroxy-3-phenylmethoxypropyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 113247766
1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid
CID 79429175

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 62740447) is 1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid is O=C(O)C1(CC2CCCC2)CCCc2ccccc21.
What is the InChIKey of 1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is HOLDINDPDRZTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-16(19)17(12-13-6-1-2-7-13)11-5-9-14-8-3-4-10-15(14)17/h3-4,8,10,13H,1-2,5-7,9,11-12H2,(H,18,19).
What are the key properties of 1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 258.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 62740447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).