2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate

C17H22O3 — CID 171717408

IUPAC2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H22O3/c1-2-17(18)20-13-12-19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h2-7,15-16H,1,8-13H2
InChIKeyKBKMQYZWEDXPCR-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate

2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate (PubChem CID 171717408) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate
PubChem CID171717408
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H22O3/c1-2-17(18)20-13-12-19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h2-7,15-16H,1,8-13H2
InChIKeyKBKMQYZWEDXPCR-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate?
The IUPAC name of 2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate (CID 171717408) is 2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate.
What is the SMILES notation for 2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate?
The canonical SMILES for 2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate is C=CC(=O)OCCOC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate?
The InChIKey is KBKMQYZWEDXPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-2-17(18)20-13-12-19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h2-7,15-16H,1,8-13H2.
What are the key properties of 2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate?
2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate has a molecular weight of 274.36 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate is sourced from PubChem (CID 171717408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).