ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate

C20H22O4 — CID 54544390

IUPACethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate
SMILESCCOC(=O)CCCOC(=Cc1ccccc1O)c1ccccc1
InChIInChI=1S/C20H22O4/c1-2-23-20(22)13-8-14-24-19(16-9-4-3-5-10-16)15-17-11-6-7-12-18(17)21/h3-7,9-12,15,21H,2,8,13-14H2,1H3
InChIKeyZFNGDPWLBARPCN-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.25
Rot. Bonds8

About ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate

ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate (PubChem CID 54544390) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate.

Molecular Properties

Compound Nameethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate
PubChem CID54544390
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Nameethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate
SMILESCCOC(=O)CCCOC(=Cc1ccccc1O)c1ccccc1
InChIInChI=1S/C20H22O4/c1-2-23-20(22)13-8-14-24-19(16-9-4-3-5-10-16)15-17-11-6-7-12-18(17)21/h3-7,9-12,15,21H,2,8,13-14H2,1H3
InChIKeyZFNGDPWLBARPCN-UHFFFAOYSA-N
XLogP4.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate 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 5-phenylhex-5-enoate
CID 146276439
[(Z)-1-ethoxy-2-phenylethenyl]benzene
CID 12610888
ethyl 7,8-dioxo-8-phenyloctanoate
CID 102494315
ethyl 4-[4-(2-phenylethynyl)phenoxy]butanoate
CID 154694040
ethyl 6-(2-prop-1-enylphenoxy)hexanoate
CID 77024450
ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
2-(4-ethoxy-4-oxobutoxy)benzoic acid
CID 139610129
propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate
CID 175118534
ethyl 5-(3-phenylprop-2-ynoyloxy)pentanoate
CID 56964329
ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate
CID 19603738
4-(1,2-diphenylethenoxy)butan-1-amine
CID 57175242
ethyl 5-oxo-5-(4-phenylphenyl)pentanoate
CID 15728866

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate?
The IUPAC name of ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate (CID 54544390) is ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate.
What is the SMILES notation for ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate?
The canonical SMILES for ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate is CCOC(=O)CCCOC(=Cc1ccccc1O)c1ccccc1.
What is the InChIKey of ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate?
The InChIKey is ZFNGDPWLBARPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-2-23-20(22)13-8-14-24-19(16-9-4-3-5-10-16)15-17-11-6-7-12-18(17)21/h3-7,9-12,15,21H,2,8,13-14H2,1H3.
What are the key properties of ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate?
ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate has a molecular weight of 326.39 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate is sourced from PubChem (CID 54544390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).