(3,5-diphenylphenyl) cyclopentanecarboxylate

C24H22O2 — CID 44572266

IUPAC(3,5-diphenylphenyl) cyclopentanecarboxylate
SMILESO=C(Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1)C1CCCC1
InChIInChI=1S/C24H22O2/c25-24(20-13-7-8-14-20)26-23-16-21(18-9-3-1-4-10-18)15-22(17-23)19-11-5-2-6-12-19/h1-6,9-12,15-17,20H,7-8,13-14H2
InChIKeySTQLRGZNKIMZHF-UHFFFAOYSA-N
MW342.44 g/mol
LogP6.12
Rot. Bonds4

About (3,5-diphenylphenyl) cyclopentanecarboxylate

(3,5-diphenylphenyl) cyclopentanecarboxylate (PubChem CID 44572266) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3,5-diphenylphenyl) cyclopentanecarboxylate.

Molecular Properties

Compound Name(3,5-diphenylphenyl) cyclopentanecarboxylate
PubChem CID44572266
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name(3,5-diphenylphenyl) cyclopentanecarboxylate
SMILESO=C(Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1)C1CCCC1
InChIInChI=1S/C24H22O2/c25-24(20-13-7-8-14-20)26-23-16-21(18-9-3-1-4-10-18)15-22(17-23)19-11-5-2-6-12-19/h1-6,9-12,15-17,20H,7-8,13-14H2
InChIKeySTQLRGZNKIMZHF-UHFFFAOYSA-N
XLogP6.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-phenylphenyl) cyclopentanecarboxylate
CID 1234522
hydron;phenyl cycloheptanecarboxylate
CID 174768034
(4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate
CID 20724345
[4-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311
(3,5-diformyloxyphenyl) cyclopentanecarboxylate
CID 91352190
[4-[2-[4-(phenoxymethoxy)phenyl]ethyl]phenyl] cyclohexanecarboxylate
CID 20724203
(4-benzamidophenyl) cyclopentanecarboxylate
CID 26191011
trans-diphenyl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 15685593
[4-(4-phenylphenoxy)carbonylcyclohexyl] 4-phenylbenzoate
CID 20724277
(2-phenylphenyl) cyclopropanecarboxylate
CID 91695306
naphthalen-2-yl cyclopropanecarboxylate
CID 532295
(3-acetylphenyl) cyclohexanecarboxylate
CID 86975498

Frequently Asked Questions

What is the IUPAC name of (3,5-diphenylphenyl) cyclopentanecarboxylate?
The IUPAC name of (3,5-diphenylphenyl) cyclopentanecarboxylate (CID 44572266) is (3,5-diphenylphenyl) cyclopentanecarboxylate.
What is the SMILES notation for (3,5-diphenylphenyl) cyclopentanecarboxylate?
The canonical SMILES for (3,5-diphenylphenyl) cyclopentanecarboxylate is O=C(Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1)C1CCCC1.
What is the InChIKey of (3,5-diphenylphenyl) cyclopentanecarboxylate?
The InChIKey is STQLRGZNKIMZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c25-24(20-13-7-8-14-20)26-23-16-21(18-9-3-1-4-10-18)15-22(17-23)19-11-5-2-6-12-19/h1-6,9-12,15-17,20H,7-8,13-14H2.
What are the key properties of (3,5-diphenylphenyl) cyclopentanecarboxylate?
(3,5-diphenylphenyl) cyclopentanecarboxylate has a molecular weight of 342.44 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diphenylphenyl) cyclopentanecarboxylate is sourced from PubChem (CID 44572266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).