3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid

C18H18O4 — CID 68884286

IUPAC3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid
SMILESCCOc1ccc(OCc2ccccc2)c(C=CC(=O)O)c1
InChIInChI=1S/C18H18O4/c1-2-21-16-9-10-17(15(12-16)8-11-18(19)20)22-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,19,20)
InChIKeyYFZRFQMNLNSGBT-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.76
Rot. Bonds7

About 3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid

3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid (PubChem CID 68884286) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid
PubChem CID68884286
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid
SMILESCCOc1ccc(OCc2ccccc2)c(C=CC(=O)O)c1
InChIInChI=1S/C18H18O4/c1-2-21-16-9-10-17(15(12-16)8-11-18(19)20)22-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,19,20)
InChIKeyYFZRFQMNLNSGBT-UHFFFAOYSA-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 3-(5-ethoxy-2-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

(E)-3-(2-methoxy-5-phenylmethoxyphenyl)prop-2-enoic acid
CID 11414899
3-[5-(carboxymethyl)-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 57319289
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 68550256
3-[2,4-bis(phenylmethoxy)phenyl]-1-(2,4-diethoxyphenyl)prop-2-en-1-one
CID 139826532
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
3-[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 76954491
(E)-3-[2-ethoxy-5-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 170997964
3-(4-ethoxy-2-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826426
1,3-bis(2-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826690
3-(2-ethoxy-5-methylphenyl)prop-2-enoic acid
CID 77011473
(E)-3-[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 42311469

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid?
The IUPAC name of 3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid (CID 68884286) is 3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid is CCOc1ccc(OCc2ccccc2)c(C=CC(=O)O)c1.
What is the InChIKey of 3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid?
The InChIKey is YFZRFQMNLNSGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-2-21-16-9-10-17(15(12-16)8-11-18(19)20)22-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,19,20).
What are the key properties of 3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid?
3-(5-ethoxy-2-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 3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 68884286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).