1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid

C17H22O2 — CID 82300658

IUPAC1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3c(c2)CCCC3)CCCC1
InChIInChI=1S/C17H22O2/c18-16(19)17(9-3-4-10-17)12-13-7-8-14-5-1-2-6-15(14)11-13/h7-8,11H,1-6,9-10,12H2,(H,18,19)
InChIKeyRUYWUTPJDSGCFX-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.75
Rot. Bonds3

About 1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid

1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 82300658) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid
PubChem CID82300658
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3c(c2)CCCC3)CCCC1
InChIInChI=1S/C17H22O2/c18-16(19)17(9-3-4-10-17)12-13-7-8-14-5-1-2-6-15(14)11-13/h7-8,11H,1-6,9-10,12H2,(H,18,19)
InChIKeyRUYWUTPJDSGCFX-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246507
1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82291603
1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 62738855
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)cyclopentane-1-carboxylic acid
CID 95479036
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carboxylic acid
CID 107889012
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexane-1-carboxylic acid
CID 95479031
2-(2,3-dihydro-1H-inden-5-ylmethyl)thiolane-2-carboxylic acid
CID 83173297
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82090827
1-[(3,4-dimethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 79424763
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65194237
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid (CID 82300658) is 1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid is O=C(O)C1(Cc2ccc3c(c2)CCCC3)CCCC1.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is RUYWUTPJDSGCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-16(19)17(9-3-4-10-17)12-13-7-8-14-5-1-2-6-15(14)11-13/h7-8,11H,1-6,9-10,12H2,(H,18,19).
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid?
1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 258.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82300658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).