ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate

C24H28O3 — CID 142646014

IUPACethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OCC2CCCCC2)c(-c2ccccc2)c1
InChIInChI=1S/C24H28O3/c1-2-26-24(25)16-14-19-13-15-23(27-18-20-9-5-3-6-10-20)22(17-19)21-11-7-4-8-12-21/h4,7-8,11-17,20H,2-3,5-6,9-10,18H2,1H3
InChIKeyJMKPAANZHQDVFR-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.89
Rot. Bonds7

About ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate

ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate (PubChem CID 142646014) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate
PubChem CID142646014
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Nameethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OCC2CCCCC2)c(-c2ccccc2)c1
InChIInChI=1S/C24H28O3/c1-2-26-24(25)16-14-19-13-15-23(27-18-20-9-5-3-6-10-20)22(17-19)21-11-7-4-8-12-21/h4,7-8,11-17,20H,2-3,5-6,9-10,18H2,1H3
InChIKeyJMKPAANZHQDVFR-UHFFFAOYSA-N
XLogP5.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate
CID 58027574
3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 141008558
3-[4-(cyclohexylmethoxy)-3-methoxy-5-phenylphenyl]prop-2-enoic acid
CID 141008554
ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
CID 23242190
ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate
CID 86617650
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
4-(cyclohexylmethoxy)-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 22616636
ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
CID 22557638
benzene-1,2-diamine;ethyl 3-(4-cyclohexylphenyl)prop-2-enoate
CID 174740331
cyclohexylmethyl (E)-3-(4-aminophenyl)prop-2-enoate
CID 115342526
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
ethyl (E)-3-[4-(N'-cyclohexylcarbamimidoyl)phenyl]prop-2-enoate
CID 102045523

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate (CID 142646014) is ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(OCC2CCCCC2)c(-c2ccccc2)c1.
What is the InChIKey of ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate?
The InChIKey is JMKPAANZHQDVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O3/c1-2-26-24(25)16-14-19-13-15-23(27-18-20-9-5-3-6-10-20)22(17-19)21-11-7-4-8-12-21/h4,7-8,11-17,20H,2-3,5-6,9-10,18H2,1H3.
What are the key properties of ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate?
ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate has a molecular weight of 364.49 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate is sourced from PubChem (CID 142646014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).