cyclohexyl (E)-3-phenylprop-2-enoate

C15H18O2 — CID 5357153

IUPACcyclohexyl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OC1CCCCC1
InChIInChI=1S/C15H18O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11+
InChIKeyGCFAUZGWPDYAJN-VAWYXSNFSA-N
MW230.31 g/mol
LogP3.58
Rot. Bonds3

About cyclohexyl (E)-3-phenylprop-2-enoate

cyclohexyl (E)-3-phenylprop-2-enoate (PubChem CID 5357153) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is cyclohexyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namecyclohexyl (E)-3-phenylprop-2-enoate
PubChem CID5357153
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namecyclohexyl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OC1CCCCC1
InChIInChI=1S/C15H18O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11+
InChIKeyGCFAUZGWPDYAJN-VAWYXSNFSA-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl (E)-3-phenylprop-2-enoate?
The IUPAC name of cyclohexyl (E)-3-phenylprop-2-enoate (CID 5357153) is cyclohexyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for cyclohexyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for cyclohexyl (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)OC1CCCCC1.
What is the InChIKey of cyclohexyl (E)-3-phenylprop-2-enoate?
The InChIKey is GCFAUZGWPDYAJN-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H18O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11+.
What are the key properties of cyclohexyl (E)-3-phenylprop-2-enoate?
cyclohexyl (E)-3-phenylprop-2-enoate 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 cyclohexyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 5357153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).