cyclopentyl (2-phenylphenyl) carbonate

C18H18O3 — CID 121311469

IUPACcyclopentyl (2-phenylphenyl) carbonate
SMILESO=C(Oc1ccccc1-c1ccccc1)OC1CCCC1
InChIInChI=1S/C18H18O3/c19-18(20-15-10-4-5-11-15)21-17-13-7-6-12-16(17)14-8-2-1-3-9-14/h1-3,6-9,12-13,15H,4-5,10-11H2
InChIKeyIDLBQFDVAKLGSF-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.81
Rot. Bonds3

About cyclopentyl (2-phenylphenyl) carbonate

cyclopentyl (2-phenylphenyl) carbonate (PubChem CID 121311469) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is cyclopentyl (2-phenylphenyl) carbonate.

Molecular Properties

Compound Namecyclopentyl (2-phenylphenyl) carbonate
PubChem CID121311469
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Namecyclopentyl (2-phenylphenyl) carbonate
SMILESO=C(Oc1ccccc1-c1ccccc1)OC1CCCC1
InChIInChI=1S/C18H18O3/c19-18(20-15-10-4-5-11-15)21-17-13-7-6-12-16(17)14-8-2-1-3-9-14/h1-3,6-9,12-13,15H,4-5,10-11H2
InChIKeyIDLBQFDVAKLGSF-UHFFFAOYSA-N
XLogP4.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-phenylphenyl) cyclopropanecarboxylate
CID 91695306
cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
CID 56607814
(2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate
CID 174942963
[2-[carbonochloridoyloxy(chloro)methyl]phenyl] cyclopentyl carbonate
CID 58234730
cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
CID 132551637
hexyl (2-phenylphenyl) carbonate
CID 67180373
1-O-nonyl 2-O-(2-phenylphenyl) cyclohexane-1,2-dicarboxylate
CID 91722359
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
(2-phenylphenyl) dimethylphosphorylformate
CID 122645320
(2-phenylphenoxy)carbonylsulfonylformic acid
CID 54171746
(2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate
CID 66879164
bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate
CID 66629129

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2-phenylphenyl) carbonate?
The IUPAC name of cyclopentyl (2-phenylphenyl) carbonate (CID 121311469) is cyclopentyl (2-phenylphenyl) carbonate.
What is the SMILES notation for cyclopentyl (2-phenylphenyl) carbonate?
The canonical SMILES for cyclopentyl (2-phenylphenyl) carbonate is O=C(Oc1ccccc1-c1ccccc1)OC1CCCC1.
What is the InChIKey of cyclopentyl (2-phenylphenyl) carbonate?
The InChIKey is IDLBQFDVAKLGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-18(20-15-10-4-5-11-15)21-17-13-7-6-12-16(17)14-8-2-1-3-9-14/h1-3,6-9,12-13,15H,4-5,10-11H2.
What are the key properties of cyclopentyl (2-phenylphenyl) carbonate?
cyclopentyl (2-phenylphenyl) carbonate has a molecular weight of 282.34 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2-phenylphenyl) carbonate is sourced from PubChem (CID 121311469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).