[2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate

C22H24O4 — CID 69199999

IUPAC[2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate
SMILESCOC(=O)C1(CCc2ccccc2)CCCC1OC(=O)c1ccccc1
InChIInChI=1S/C22H24O4/c1-25-21(24)22(16-14-17-9-4-2-5-10-17)15-8-13-19(22)26-20(23)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3
InChIKeySNOWXZNWGGHWGQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.19
Rot. Bonds6

About [2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate

[2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate (PubChem CID 69199999) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is [2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate.

Molecular Properties

Compound Name[2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate
PubChem CID69199999
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name[2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate
SMILESCOC(=O)C1(CCc2ccccc2)CCCC1OC(=O)c1ccccc1
InChIInChI=1S/C22H24O4/c1-25-21(24)22(16-14-17-9-4-2-5-10-17)15-8-13-19(22)26-20(23)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3
InChIKeySNOWXZNWGGHWGQ-UHFFFAOYSA-N
XLogP4.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzyl-2-methoxycarbonylcyclopentyl) 4-methylbenzoate
CID 69199533
ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate
CID 69201738
[2-ethoxycarbonyl-2-(2-methylpropyl)cyclopentyl] benzoate
CID 69201228
methyl (1R,2S,6R)-2-(phenylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane-2-carboxylate
CID 98389801
methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 86231403
1-butyl-2-(3-methylbenzoyl)oxycyclopentane-1-carboxylic acid
CID 90985813
[(1S,2R)-2-benzoyloxy-2-methylcyclohexyl] benzoate
CID 7107271
[(1aR,4aS,5R,8aS)-4a-methyl-1a,2,3,4,5,6,7,8-octahydronaphtho[4a,5-b]oxiren-5-yl] benzoate
CID 11403441
[2-(2-methylpropoxycarbonyl)-2-pentylcyclopentyl] 3-methylbenzoate
CID 69200542
(2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate
CID 91052277
2-methylpropyl 2-phenylmethoxy-1-propylcyclopentane-1-carboxylate
CID 141100848
methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate
CID 2750766

Frequently Asked Questions

What is the IUPAC name of [2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate?
The IUPAC name of [2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate (CID 69199999) is [2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate.
What is the SMILES notation for [2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate?
The canonical SMILES for [2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate is COC(=O)C1(CCc2ccccc2)CCCC1OC(=O)c1ccccc1.
What is the InChIKey of [2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate?
The InChIKey is SNOWXZNWGGHWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-25-21(24)22(16-14-17-9-4-2-5-10-17)15-8-13-19(22)26-20(23)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3.
What are the key properties of [2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate?
[2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate has a molecular weight of 352.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxycarbonyl-2-(2-phenylethyl)cyclopentyl] benzoate is sourced from PubChem (CID 69199999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).