ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate

C15H18O3 — CID 18325913

IUPACethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1CCC(O)C=C1c1ccccc1
InChIInChI=1S/C15H18O3/c1-2-18-15(17)13-9-8-12(16)10-14(13)11-6-4-3-5-7-11/h3-7,10,12-13,16H,2,8-9H2,1H3
InChIKeyPIRQONMTCKSGPS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.40
Rot. Bonds3

About ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate

ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate (PubChem CID 18325913) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate
PubChem CID18325913
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1CCC(O)C=C1c1ccccc1
InChIInChI=1S/C15H18O3/c1-2-18-15(17)13-9-8-12(16)10-14(13)11-6-4-3-5-7-11/h3-7,10,12-13,16H,2,8-9H2,1H3
InChIKeyPIRQONMTCKSGPS-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate (CID 18325913) is ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate is CCOC(=O)C1CCC(O)C=C1c1ccccc1.
What is the InChIKey of ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate?
The InChIKey is PIRQONMTCKSGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-18-15(17)13-9-8-12(16)10-14(13)11-6-4-3-5-7-11/h3-7,10,12-13,16H,2,8-9H2,1H3.
What are the key properties of ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate?
ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-phenylcyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 18325913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).