ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate

C27H27NO5 — CID 123759809

IUPACethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OCc2ccc(OCC(=NOC)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H27NO5/c1-3-31-27(29)18-13-21-9-14-24(15-10-21)32-19-22-11-16-25(17-12-22)33-20-26(28-30-2)23-7-5-4-6-8-23/h4-18H,3,19-20H2,1-2H3
InChIKeyHCHZJLDSEFDKBL-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.27
Rot. Bonds11

About ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate

ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate (PubChem CID 123759809) has the molecular formula C27H27NO5 and a molecular weight of 445.52 g/mol. Its IUPAC name is ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate
PubChem CID123759809
Molecular FormulaC27H27NO5
Molecular Weight445.52 g/mol
Exact Mass445.19
IUPAC Nameethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OCc2ccc(OCC(=NOC)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H27NO5/c1-3-31-27(29)18-13-21-9-14-24(15-10-21)32-19-22-11-16-25(17-12-22)33-20-26(28-30-2)23-7-5-4-6-8-23/h4-18H,3,19-20H2,1-2H3
InChIKeyHCHZJLDSEFDKBL-UHFFFAOYSA-N
XLogP5.27
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-[2-methoxy-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]prop-2-enoate
CID 88581651
(Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine
CID 141330759
ethyl 3-[2-hydroxy-4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]propanoate
CID 123239320
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-phenylpropanoic acid
CID 56639772
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797
benzyl 3-amino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 88582976
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]butanoic acid
CID 88581379
4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 56640140
ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate
CID 57315143
ethyl 3-(4-benzoylphenyl)prop-2-enoate
CID 73018400
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate (CID 123759809) is ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(OCc2ccc(OCC(=NOC)c3ccccc3)cc2)cc1.
What is the InChIKey of ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate?
The InChIKey is HCHZJLDSEFDKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO5/c1-3-31-27(29)18-13-21-9-14-24(15-10-21)32-19-22-11-16-25(17-12-22)33-20-26(28-30-2)23-7-5-4-6-8-23/h4-18H,3,19-20H2,1-2H3.
What are the key properties of ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate?
ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate has a molecular weight of 445.52 g/mol, XLogP of 5.27, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 123759809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).