(1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate

C22H28O3 — CID 164739121

IUPAC(1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate
SMILESCCC(C)c1cc(C(=O)OC2(CC)CCCC2)c(O)c2ccccc12
InChIInChI=1S/C22H28O3/c1-4-15(3)18-14-19(20(23)17-11-7-6-10-16(17)18)21(24)25-22(5-2)12-8-9-13-22/h6-7,10-11,14-15,23H,4-5,8-9,12-13H2,1-3H3
InChIKeyNFJNSYACNLCZJR-UHFFFAOYSA-N
MW340.46 g/mol
LogP5.94
Rot. Bonds5

About (1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate

(1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate (PubChem CID 164739121) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate
PubChem CID164739121
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name(1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate
SMILESCCC(C)c1cc(C(=O)OC2(CC)CCCC2)c(O)c2ccccc12
InChIInChI=1S/C22H28O3/c1-4-15(3)18-14-19(20(23)17-11-7-6-10-16(17)18)21(24)25-22(5-2)12-8-9-13-22/h6-7,10-11,14-15,23H,4-5,8-9,12-13H2,1-3H3
InChIKeyNFJNSYACNLCZJR-UHFFFAOYSA-N
XLogP5.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1-ethylcyclohexyl) benzene-1,4-dicarboxylate
CID 70018713
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7553384
(1-ethylcyclopentyl) 2-methyl-3-phenylbutanoate
CID 58836378
(1-ethylcyclopentyl) 3-ethenyl-2,6-dihydroxybenzoate;(1-ethylcyclopentyl) 4-ethenyl-2,6-dihydroxybenzoate;(1-ethylcyclopentyl) 5-ethenyl-2,3-dihydroxybenzoate;(1-ethylcyclopentyl) 4-ethenyl-1-hydroxynaphthalene-2-carboxylate;(1-ethylcyclopentyl) 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate
CID 165079428
(1-methylcyclopentyl) 5-[4-[5-(1-methylcyclopentyl)oxycarbonylnaphthalen-1-yl]hexan-2-yl]naphthalene-1-carboxylate
CID 71288071
1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 20521545
4-butan-2-ylphenol;(1-ethylcyclopentyl) 2-(4-butan-2-ylphenoxy)acetate
CID 144690786
2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid
CID 103272405
(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol
CID 22119740
3-(1-ethylcyclohexyl)oxycarbonylbenzenesulfonic acid
CID 174249446
(1-ethylcyclopentyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate
CID 86712459
[1-(4-iodophenyl)cyclopentyl] 5-[(2R)-butan-2-yl]-2-hydroxybenzoate
CID 170086962

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate?
The IUPAC name of (1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate (CID 164739121) is (1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for (1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for (1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate is CCC(C)c1cc(C(=O)OC2(CC)CCCC2)c(O)c2ccccc12.
What is the InChIKey of (1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate?
The InChIKey is NFJNSYACNLCZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-4-15(3)18-14-19(20(23)17-11-7-6-10-16(17)18)21(24)25-22(5-2)12-8-9-13-22/h6-7,10-11,14-15,23H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of (1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate?
(1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate has a molecular weight of 340.46 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 4-butan-2-yl-1-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 164739121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).