(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid

C18H18O4 — CID 2478599

IUPAC(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
SMILESCCOc1cc(/C=C\C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C18H18O4/c1-2-21-17-12-14(9-11-18(19)20)8-10-16(17)22-13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,19,20)/b11-9-
InChIKeyZRGFXHPPBGPRIU-LUAWRHEFSA-N
MW298.34 g/mol
LogP3.76
Rot. Bonds7

About (Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid

(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid (PubChem CID 2478599) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
PubChem CID2478599
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
SMILESCCOc1cc(/C=C\C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C18H18O4/c1-2-21-17-12-14(9-11-18(19)20)8-10-16(17)22-13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,19,20)/b11-9-
InChIKeyZRGFXHPPBGPRIU-LUAWRHEFSA-N
XLogP3.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid 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

3-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 22684129
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
(E)-3-[3-ethoxy-4-(3-phenylpropoxy)phenyl]prop-2-enoic acid
CID 22680088
2-[[(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534978
3-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid
CID 4220929
3-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid
CID 4028497
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
(E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid
CID 89404903
N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide
CID 169466602
(E)-3-[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid
CID 761941
3-[3-ethoxy-4-(ethoxymethoxy)phenyl]prop-2-enoic acid
CID 77066570

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid (CID 2478599) is (Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid is CCOc1cc(/C=C\C(=O)O)ccc1OCc1ccccc1.
What is the InChIKey of (Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid?
The InChIKey is ZRGFXHPPBGPRIU-LUAWRHEFSA-N. The full InChI is InChI=1S/C18H18O4/c1-2-21-17-12-14(9-11-18(19)20)8-10-16(17)22-13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,19,20)/b11-9-.
What are the key properties of (Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid?
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid has a molecular weight of 298.34 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 2478599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).