[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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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).