ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate

C22H26O5 — CID 68616308

IUPACethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc(OCc2ccccc2)cc1OCC)OCC
InChIInChI=1S/C22H26O5/c1-4-24-20-15-19(27-16-17-10-8-7-9-11-17)13-12-18(20)14-21(25-5-2)22(23)26-6-3/h7-15H,4-6,16H2,1-3H3/b21-14-
InChIKeyAPELRUWMDDEGAK-STZFKDTASA-N
MW370.45 g/mol
LogP4.60
Rot. Bonds10

About ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate

ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate (PubChem CID 68616308) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
PubChem CID68616308
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Nameethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc(OCc2ccccc2)cc1OCC)OCC
InChIInChI=1S/C22H26O5/c1-4-24-20-15-19(27-16-17-10-8-7-9-11-17)13-12-18(20)14-21(25-5-2)22(23)26-6-3/h7-15H,4-6,16H2,1-3H3/b21-14-
InChIKeyAPELRUWMDDEGAK-STZFKDTASA-N
XLogP4.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 5368608
1,3-bis(2-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826690
3-[2,4-bis(phenylmethoxy)phenyl]-1-(2,4-diethoxyphenyl)prop-2-en-1-one
CID 139826532
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
3-(2-ethoxy-4-methoxyphenyl)-1-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826570
ethyl (2E)-2-[(3-phenylmethoxyphenyl)methylidene]butanoate
CID 59590524
ethyl 3-(4-phenylmethoxyphenyl)-2-propan-2-yloxyprop-2-enoate
CID 91601076
1-(2-ethoxy-4-phenylmethoxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826595
2-ethoxy-3-(3-phenylmethoxyphenyl)prop-2-enoic acid
CID 69009380
ethyl (E)-3-(2-phenylmethoxy-4-propoxyphenyl)prop-2-enoate
CID 86618807
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate
CID 69253409

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate (CID 68616308) is ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate is CCOC(=O)/C(=C/c1ccc(OCc2ccccc2)cc1OCC)OCC.
What is the InChIKey of ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate?
The InChIKey is APELRUWMDDEGAK-STZFKDTASA-N. The full InChI is InChI=1S/C22H26O5/c1-4-24-20-15-19(27-16-17-10-8-7-9-11-17)13-12-18(20)14-21(25-5-2)22(23)26-6-3/h7-15H,4-6,16H2,1-3H3/b21-14-.
What are the key properties of ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate?
ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate has a molecular weight of 370.45 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-ethoxy-3-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 68616308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).