ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate

C21H30O5 — CID 86617650

IUPACethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(OCCOC)cc1OCC1CCCCC1
InChIInChI=1S/C21H30O5/c1-3-24-21(22)12-10-18-9-11-19(25-14-13-23-2)15-20(18)26-16-17-7-5-4-6-8-17/h9-12,15,17H,3-8,13-14,16H2,1-2H3/b12-10+
InChIKeyRBNDJUJSOCDTBA-ZRDIBKRKSA-N
MW362.47 g/mol
LogP4.25
Rot. Bonds10

About ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate

ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate (PubChem CID 86617650) has the molecular formula C21H30O5 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate
PubChem CID86617650
Molecular FormulaC21H30O5
Molecular Weight362.47 g/mol
Exact Mass362.21
IUPAC Nameethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(OCCOC)cc1OCC1CCCCC1
InChIInChI=1S/C21H30O5/c1-3-24-21(22)12-10-18-9-11-19(25-14-13-23-2)15-20(18)26-16-17-7-5-4-6-8-17/h9-12,15,17H,3-8,13-14,16H2,1-2H3/b12-10+
InChIKeyRBNDJUJSOCDTBA-ZRDIBKRKSA-N
XLogP4.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate
CID 91354224
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024
3-[2-(cyclopentylmethoxy)-4-methoxyphenyl]prop-2-enoic acid
CID 76898220
ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate
CID 58027574
ethyl (E)-3-[2-[(2,4-dichlorophenyl)methoxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoate
CID 86617651
ethyl 3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoate
CID 91436690
ethyl (E)-3-[4-(2-methoxyethoxy)-2-nitrophenyl]prop-2-enoate
CID 86617663
3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 68550789
2-(cyclobutylmethoxy)-4-propoxybenzaldehyde
CID 65459200
ethyl (E)-3-(2-phenylmethoxy-4-propoxyphenyl)prop-2-enoate
CID 86618807
ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate
CID 142646014
ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate
CID 89046318

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate (CID 86617650) is ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(OCCOC)cc1OCC1CCCCC1.
What is the InChIKey of ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate?
The InChIKey is RBNDJUJSOCDTBA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H30O5/c1-3-24-21(22)12-10-18-9-11-19(25-14-13-23-2)15-20(18)26-16-17-7-5-4-6-8-17/h9-12,15,17H,3-8,13-14,16H2,1-2H3/b12-10+.
What are the key properties of ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate?
ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate has a molecular weight of 362.47 g/mol, XLogP of 4.25, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[2-(cyclohexylmethoxy)-4-(2-methoxyethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 86617650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).