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

C19H19O4- — CID 22708434

IUPAC(Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate
SMILESCCO/C(=C\c1ccc(OCc2ccccc2)c(C)c1)C(=O)[O-]
InChIInChI=1S/C19H20O4/c1-3-22-18(19(20)21)12-16-9-10-17(14(2)11-16)23-13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,20,21)/p-1/b18-12-
InChIKeyXNFKNZXTMVBSCQ-PDGQHHTCSA-M
MW311.36 g/mol
LogP2.70
Rot. Bonds7

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

(Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate (PubChem CID 22708434) has the molecular formula C19H19O4- and a molecular weight of 311.36 g/mol. Its IUPAC name is (Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate
PubChem CID22708434
Molecular FormulaC19H19O4-
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate
SMILESCCO/C(=C\c1ccc(OCc2ccccc2)c(C)c1)C(=O)[O-]
InChIInChI=1S/C19H20O4/c1-3-22-18(19(20)21)12-16-9-10-17(14(2)11-16)23-13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,20,21)/p-1/b18-12-
InChIKeyXNFKNZXTMVBSCQ-PDGQHHTCSA-M
XLogP2.70
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoic acid;3-methyl-4-phenylmethoxybenzaldehyde
CID 173269771
4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-methyl-1-phenylmethoxybenzene
CID 89319080
2-ethoxy-3-(3-phenylmethoxyphenyl)prop-2-enoic acid
CID 69009380
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
benzyl 5-[(Z)-3-ethoxy-2-methoxy-3-oxoprop-1-enyl]-2-methoxybenzoate
CID 11111439
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
benzyl 5-[(Z)-3-ethoxy-3-oxo-2-phenoxyprop-1-enyl]-2-methoxybenzoate
CID 11059107
ethyl (E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-cyanoprop-2-enoate
CID 7321150
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate?
The IUPAC name of (Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate (CID 22708434) is (Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate?
The canonical SMILES for (Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate is CCO/C(=C\c1ccc(OCc2ccccc2)c(C)c1)C(=O)[O-].
What is the InChIKey of (Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate?
The InChIKey is XNFKNZXTMVBSCQ-PDGQHHTCSA-M. The full InChI is InChI=1S/C19H20O4/c1-3-22-18(19(20)21)12-16-9-10-17(14(2)11-16)23-13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,20,21)/p-1/b18-12-.
What are the key properties of (Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate?
(Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate has a molecular weight of 311.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 22708434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).