ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate

C18H24O3 — CID 58027574

IUPACethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C18H24O3/c1-2-20-18(19)12-11-15-9-6-10-17(13-15)21-14-16-7-4-3-5-8-16/h6,9-13,16H,2-5,7-8,14H2,1H3/b12-11+
InChIKeyOATUEPRIMDXUOG-VAWYXSNFSA-N
MW288.39 g/mol
LogP4.22
Rot. Bonds6

About ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate

ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate (PubChem CID 58027574) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate
PubChem CID58027574
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Nameethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C18H24O3/c1-2-20-18(19)12-11-15-9-6-10-17(13-15)21-14-16-7-4-3-5-8-16/h6,9-13,16H,2-5,7-8,14H2,1H3/b12-11+
InChIKeyOATUEPRIMDXUOG-VAWYXSNFSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.22
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 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate
CID 142646014
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
3-(cycloheptylmethoxy)benzaldehyde
CID 86637613
ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate
CID 86617650
ethyl 3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 54080322
3-(cyclobutylmethoxy)benzaldehyde
CID 58027526
(E)-3-[3-(cyclohexylmethoxy)phenyl]-2-methylprop-2-enenitrile
CID 172583892
ethyl (E)-3-(3-formylphenyl)prop-2-enoate
CID 11310219
ethyl 3-(3-piperidin-1-ylphenyl)prop-2-enoate
CID 169480960
ethyl (E)-3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91685540
propyl 3-(3-butoxyphenyl)prop-2-enoate
CID 130331772
ethyl (Z)-3-(3-bromophenyl)prop-2-enoate
CID 124561754

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate (CID 58027574) is ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate is CCOC(=O)/C=C/c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate?
The InChIKey is OATUEPRIMDXUOG-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H24O3/c1-2-20-18(19)12-11-15-9-6-10-17(13-15)21-14-16-7-4-3-5-8-16/h6,9-13,16H,2-5,7-8,14H2,1H3/b12-11+.
What are the key properties of ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate?
ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate has a molecular weight of 288.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 58027574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).