(4-cyclopentylphenyl) ethyl carbonate

C14H18O3 — CID 152547473

IUPAC(4-cyclopentylphenyl) ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C2CCCC2)cc1
InChIInChI=1S/C14H18O3/c1-2-16-14(15)17-13-9-7-12(8-10-13)11-5-3-4-6-11/h7-11H,2-6H2,1H3
InChIKeyYMTZRIAADBIWCP-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.88
Rot. Bonds3

About (4-cyclopentylphenyl) ethyl carbonate

(4-cyclopentylphenyl) ethyl carbonate (PubChem CID 152547473) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4-cyclopentylphenyl) ethyl carbonate.

Molecular Properties

Compound Name(4-cyclopentylphenyl) ethyl carbonate
PubChem CID152547473
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(4-cyclopentylphenyl) ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C2CCCC2)cc1
InChIInChI=1S/C14H18O3/c1-2-16-14(15)17-13-9-7-12(8-10-13)11-5-3-4-6-11/h7-11H,2-6H2,1H3
InChIKeyYMTZRIAADBIWCP-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.88
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

(4-cyclohexylphenyl) (4-nonylphenyl) carbonate
CID 175454006
ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
CID 70420444
1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916
1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
CID 159588283
(4-cyclohexylphenyl) 4-hexoxycyclohexane-1-carboxylate
CID 70557261
ethyl [4-(2-hydroxyethyl)phenyl] carbonate
CID 121224839
2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
[4-(4-chlorophenoxy)phenyl] ethyl carbonate
CID 146594129
ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate
CID 60547206
ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate
CID 22765982
(4-cyclohexylphenyl) 4-decoxybenzoate
CID 70557879
(4-cyclohexylphenyl) 2,3-difluoro-4-nonoxybenzoate
CID 54408431

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylphenyl) ethyl carbonate?
The IUPAC name of (4-cyclopentylphenyl) ethyl carbonate (CID 152547473) is (4-cyclopentylphenyl) ethyl carbonate.
What is the SMILES notation for (4-cyclopentylphenyl) ethyl carbonate?
The canonical SMILES for (4-cyclopentylphenyl) ethyl carbonate is CCOC(=O)Oc1ccc(C2CCCC2)cc1.
What is the InChIKey of (4-cyclopentylphenyl) ethyl carbonate?
The InChIKey is YMTZRIAADBIWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-16-14(15)17-13-9-7-12(8-10-13)11-5-3-4-6-11/h7-11H,2-6H2,1H3.
What are the key properties of (4-cyclopentylphenyl) ethyl carbonate?
(4-cyclopentylphenyl) ethyl carbonate has a molecular weight of 234.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylphenyl) ethyl carbonate is sourced from PubChem (CID 152547473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).