1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid

C18H22O4 — CID 170443105

IUPAC1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OC2(c3ccccc3)CCCC2)CCCC1
InChIInChI=1S/C18H22O4/c19-15(20)17(10-4-5-11-17)16(21)22-18(12-6-7-13-18)14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2,(H,19,20)
InChIKeyZIAUFIPZKKTQAB-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.64
Rot. Bonds4

About 1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid

1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid (PubChem CID 170443105) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
PubChem CID170443105
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OC2(c3ccccc3)CCCC2)CCCC1
InChIInChI=1S/C18H22O4/c19-15(20)17(10-4-5-11-17)16(21)22-18(12-6-7-13-18)14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2,(H,19,20)
InChIKeyZIAUFIPZKKTQAB-UHFFFAOYSA-N
XLogP3.64
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443114
2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid
CID 69101523
(1-phenylcyclopropyl) acetate
CID 121216912
1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282
1-(1-hydroxycyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
CID 174614637
(1-phenylcyclopentyl) hydrogen sulfite
CID 66796702
(1-phenylcyclopropyl) N-methylcarbamate
CID 174645561
(1-phenylcyclohexyl) hydrogen sulfate
CID 87154592
(5-phenylazocan-1-ium-5-yl) 2-iodopropanoate
CID 162508245
(4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate
CID 167314746
[4-[1-(2-bromopropanoyloxy)cyclopentyl]phenyl]-diphenylsulfanium
CID 156683837
(3-phenylpiperidin-3-yl) 2-iodo-2-methylpropanoate
CID 162508404

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid (CID 170443105) is 1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid is O=C(O)C1(C(=O)OC2(c3ccccc3)CCCC2)CCCC1.
What is the InChIKey of 1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid?
The InChIKey is ZIAUFIPZKKTQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c19-15(20)17(10-4-5-11-17)16(21)22-18(12-6-7-13-18)14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2,(H,19,20).
What are the key properties of 1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid?
1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 170443105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).