(4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate

C21H22O2 — CID 20724342

IUPAC(4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate
SMILESO=C(/C=C/C1CCCCC1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H22O2/c22-21(16-11-17-7-3-1-4-8-17)23-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h2,5-6,9-17H,1,3-4,7-8H2/b16-11+
InChIKeyGSBWOLKLKLYNNV-LFIBNONCSA-N
MW306.41 g/mol
LogP5.40
Rot. Bonds4

About (4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate

(4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate (PubChem CID 20724342) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate.

Molecular Properties

Compound Name(4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate
PubChem CID20724342
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name(4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate
SMILESO=C(/C=C/C1CCCCC1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H22O2/c22-21(16-11-17-7-3-1-4-8-17)23-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h2,5-6,9-17H,1,3-4,7-8H2/b16-11+
InChIKeyGSBWOLKLKLYNNV-LFIBNONCSA-N
XLogP5.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.40
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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Related Compounds

(4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate
CID 102524057
(4-phenylphenyl) cyclopentanecarboxylate
CID 1234522
[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate
CID 59005607
(4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate
CID 20724345
(E)-3-cyclohexyl-N-phenylprop-2-enamide
CID 127126956
[4-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate
CID 167835618
1-cyclopentyl-5-phenylpent-1-en-3-one;hydron
CID 174426915
phenyl (E)-3-[(3aS,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]prop-2-enoate
CID 52916604
phenyl 3-(azocan-1-yl)prop-2-enoate
CID 2751342
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate?
The IUPAC name of (4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate (CID 20724342) is (4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate.
What is the SMILES notation for (4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate?
The canonical SMILES for (4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate is O=C(/C=C/C1CCCCC1)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate?
The InChIKey is GSBWOLKLKLYNNV-LFIBNONCSA-N. The full InChI is InChI=1S/C21H22O2/c22-21(16-11-17-7-3-1-4-8-17)23-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h2,5-6,9-17H,1,3-4,7-8H2/b16-11+.
What are the key properties of (4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate?
(4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate has a molecular weight of 306.41 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate is sourced from PubChem (CID 20724342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).