(4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate

C15H17ClO2 — CID 102524057

IUPAC(4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate
SMILESO=C(/C=C\C1CCCCC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h6-12H,1-5H2/b11-6-
InChIKeyKRWLFRNKQNCMHW-WDZFZDKYSA-N
MW264.75 g/mol
LogP4.38
Rot. Bonds3

About (4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate

(4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate (PubChem CID 102524057) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is (4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate.

Molecular Properties

Compound Name(4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate
PubChem CID102524057
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name(4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate
SMILESO=C(/C=C\C1CCCCC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h6-12H,1-5H2/b11-6-
InChIKeyKRWLFRNKQNCMHW-WDZFZDKYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate?
The IUPAC name of (4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate (CID 102524057) is (4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate.
What is the SMILES notation for (4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate?
The canonical SMILES for (4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate is O=C(/C=C\C1CCCCC1)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate?
The InChIKey is KRWLFRNKQNCMHW-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H17ClO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h6-12H,1-5H2/b11-6-.
What are the key properties of (4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate?
(4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate has a molecular weight of 264.75 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate is sourced from PubChem (CID 102524057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).