(4-phenylphenyl) cyclopentanecarboxylate

C18H18O2 — CID 1234522

IUPAC(4-phenylphenyl) cyclopentanecarboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)C1CCCC1
InChIInChI=1S/C18H18O2/c19-18(16-8-4-5-9-16)20-17-12-10-15(11-13-17)14-6-2-1-3-7-14/h1-3,6-7,10-13,16H,4-5,8-9H2
InChIKeyUAUIMJAKAZPSCB-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.45
Rot. Bonds3

About (4-phenylphenyl) cyclopentanecarboxylate

(4-phenylphenyl) cyclopentanecarboxylate (PubChem CID 1234522) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-phenylphenyl) cyclopentanecarboxylate.

Molecular Properties

Compound Name(4-phenylphenyl) cyclopentanecarboxylate
PubChem CID1234522
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(4-phenylphenyl) cyclopentanecarboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)C1CCCC1
InChIInChI=1S/C18H18O2/c19-18(16-8-4-5-9-16)20-17-12-10-15(11-13-17)14-6-2-1-3-7-14/h1-3,6-7,10-13,16H,4-5,8-9H2
InChIKeyUAUIMJAKAZPSCB-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.45
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-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311
(4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate
CID 20724345
(3,5-diphenylphenyl) cyclopentanecarboxylate
CID 44572266
hydron;phenyl cycloheptanecarboxylate
CID 174768034
[4-(4-phenylphenoxy)carbonylcyclohexyl] 4-phenylbenzoate
CID 20724277
(4-benzamidophenyl) cyclopentanecarboxylate
CID 26191011
[4-(4-methylphenyl)phenyl] 4-cyclohexylcyclohexane-1-carboxylate
CID 54254635
(4-quinoxalin-2-ylphenyl) cyclohexanecarboxylate
CID 787369
[4-[2-[4-(phenoxymethoxy)phenyl]ethyl]phenyl] cyclohexanecarboxylate
CID 20724203
trans-diphenyl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 15685593
4-(cycloicosanecarbonyloxy)benzenesulfonic acid
CID 56638838
4-O-(4-methoxycarbonyloxyphenyl) 1-O-phenyl cyclohexane-1,4-dicarboxylate
CID 144731542

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) cyclopentanecarboxylate?
The IUPAC name of (4-phenylphenyl) cyclopentanecarboxylate (CID 1234522) is (4-phenylphenyl) cyclopentanecarboxylate.
What is the SMILES notation for (4-phenylphenyl) cyclopentanecarboxylate?
The canonical SMILES for (4-phenylphenyl) cyclopentanecarboxylate is O=C(Oc1ccc(-c2ccccc2)cc1)C1CCCC1.
What is the InChIKey of (4-phenylphenyl) cyclopentanecarboxylate?
The InChIKey is UAUIMJAKAZPSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-18(16-8-4-5-9-16)20-17-12-10-15(11-13-17)14-6-2-1-3-7-14/h1-3,6-7,10-13,16H,4-5,8-9H2.
What are the key properties of (4-phenylphenyl) cyclopentanecarboxylate?
(4-phenylphenyl) cyclopentanecarboxylate has a molecular weight of 266.34 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) cyclopentanecarboxylate is sourced from PubChem (CID 1234522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).