[hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate

C15H20O3 — CID 70129621

IUPAC[hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate
SMILESCCC1(C(=O)OC(O)c2ccccc2)CCCC1
InChIInChI=1S/C15H20O3/c1-2-15(10-6-7-11-15)14(17)18-13(16)12-8-4-3-5-9-12/h3-5,8-9,13,16H,2,6-7,10-11H2,1H3
InChIKeyBYJKUXKDZINNIO-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.19
Rot. Bonds4

About [hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate

[hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate (PubChem CID 70129621) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is [hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate
PubChem CID70129621
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name[hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate
SMILESCCC1(C(=O)OC(O)c2ccccc2)CCCC1
InChIInChI=1S/C15H20O3/c1-2-15(10-6-7-11-15)14(17)18-13(16)12-8-4-3-5-9-12/h3-5,8-9,13,16H,2,6-7,10-11H2,1H3
InChIKeyBYJKUXKDZINNIO-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
CID 115813399
4-O-[(2-bromophenyl)-hydroxymethyl] 1-O-tert-butyl 4-ethylpiperidine-1,4-dicarboxylate
CID 155385231
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
(3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate
CID 56991904
[hydroxy(phenyl)methyl] benzoate
CID 22715526
(1-ethylcyclopentyl) 2-methyl-3-phenylbutanoate
CID 58836378
(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide
CID 167798849
1-phenylethyl 1-aminocycloheptane-1-carboxylate
CID 61279460
[1-(diethylamino)cyclopentyl]-phenylmethanol
CID 79069863
[(1R)-2-amino-2-oxo-1-phenylethyl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
CID 51861893
(2-amino-2-oxo-1-phenylethyl) 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
CID 43040312
(3-formylphenyl) 1-ethylcyclobutane-1-carboxylate
CID 87316122

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate?
The IUPAC name of [hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate (CID 70129621) is [hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate.
What is the SMILES notation for [hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate?
The canonical SMILES for [hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate is CCC1(C(=O)OC(O)c2ccccc2)CCCC1.
What is the InChIKey of [hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate?
The InChIKey is BYJKUXKDZINNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-15(10-6-7-11-15)14(17)18-13(16)12-8-4-3-5-9-12/h3-5,8-9,13,16H,2,6-7,10-11H2,1H3.
What are the key properties of [hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate?
[hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate is sourced from PubChem (CID 70129621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).