phenyl 4-ethylcyclohexane-1-carboxylate

C15H20O2 — CID 53401345

IUPACphenyl 4-ethylcyclohexane-1-carboxylate
SMILESCCC1CCC(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H20O2/c1-2-12-8-10-13(11-9-12)15(16)17-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyLBJOYZZZPHPIGP-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.81
Rot. Bonds3

About phenyl 4-ethylcyclohexane-1-carboxylate

phenyl 4-ethylcyclohexane-1-carboxylate (PubChem CID 53401345) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is phenyl 4-ethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-ethylcyclohexane-1-carboxylate
PubChem CID53401345
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namephenyl 4-ethylcyclohexane-1-carboxylate
SMILESCCC1CCC(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H20O2/c1-2-12-8-10-13(11-9-12)15(16)17-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyLBJOYZZZPHPIGP-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.81
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

ethane;phenyl 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate
CID 90929650
(4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate
CID 23334818
(4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate
CID 15218955
[4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate
CID 70598371
[4-[4-(methylideneamino)phenyl]phenyl] 4-ethylcyclohexane-1-carboxylate
CID 59944846
4-O-(4-methoxycarbonyloxyphenyl) 1-O-phenyl cyclohexane-1,4-dicarboxylate
CID 144731542
[4-[2-(4-pent-1-ynylphenyl)ethynyl]phenyl] 4-ethylcyclohexane-1-carboxylate
CID 67827853
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
hydron;phenyl cycloheptanecarboxylate
CID 174768034
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
1-azabicyclo[2.2.2]octane;phenyl cyclopropanecarboxylate
CID 174407037
[4-(4-ethylcyclohexyl)phenyl] 4-hexylcyclohexane-1-carboxylate
CID 23334605

Frequently Asked Questions

What is the IUPAC name of phenyl 4-ethylcyclohexane-1-carboxylate?
The IUPAC name of phenyl 4-ethylcyclohexane-1-carboxylate (CID 53401345) is phenyl 4-ethylcyclohexane-1-carboxylate.
What is the SMILES notation for phenyl 4-ethylcyclohexane-1-carboxylate?
The canonical SMILES for phenyl 4-ethylcyclohexane-1-carboxylate is CCC1CCC(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-ethylcyclohexane-1-carboxylate?
The InChIKey is LBJOYZZZPHPIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-12-8-10-13(11-9-12)15(16)17-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3.
What are the key properties of phenyl 4-ethylcyclohexane-1-carboxylate?
phenyl 4-ethylcyclohexane-1-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-ethylcyclohexane-1-carboxylate is sourced from PubChem (CID 53401345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).