ethyl 2-phenylcyclohexene-1-carboxylate

C15H18O2 — CID 15667923

IUPACethyl 2-phenylcyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)CCCC1
InChIInChI=1S/C15H18O2/c1-2-17-15(16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChIKeyVYYJHYIETJINCQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.58
Rot. Bonds3

About ethyl 2-phenylcyclohexene-1-carboxylate

ethyl 2-phenylcyclohexene-1-carboxylate (PubChem CID 15667923) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-phenylcyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenylcyclohexene-1-carboxylate
PubChem CID15667923
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Nameethyl 2-phenylcyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)CCCC1
InChIInChI=1S/C15H18O2/c1-2-17-15(16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChIKeyVYYJHYIETJINCQ-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylcyclohexene-1-carboxylate?
The IUPAC name of ethyl 2-phenylcyclohexene-1-carboxylate (CID 15667923) is ethyl 2-phenylcyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 2-phenylcyclohexene-1-carboxylate?
The canonical SMILES for ethyl 2-phenylcyclohexene-1-carboxylate is CCOC(=O)C1=C(c2ccccc2)CCCC1.
What is the InChIKey of ethyl 2-phenylcyclohexene-1-carboxylate?
The InChIKey is VYYJHYIETJINCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-17-15(16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 2-phenylcyclohexene-1-carboxylate?
ethyl 2-phenylcyclohexene-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylcyclohexene-1-carboxylate is sourced from PubChem (CID 15667923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).