ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate

C19H20O3 — CID 70527588

IUPACethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate
SMILESCCOC(=O)/C=C(/C)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H20O3/c1-3-21-19(20)12-15(2)17-10-7-11-18(13-17)22-14-16-8-5-4-6-9-16/h4-13H,3,14H2,1-2H3/b15-12-
InChIKeySBSWBNCPXWJNNY-QINSGFPZSA-N
MW296.37 g/mol
LogP4.23
Rot. Bonds6

About ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate

ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate (PubChem CID 70527588) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate
PubChem CID70527588
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nameethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate
SMILESCCOC(=O)/C=C(/C)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H20O3/c1-3-21-19(20)12-15(2)17-10-7-11-18(13-17)22-14-16-8-5-4-6-9-16/h4-13H,3,14H2,1-2H3/b15-12-
InChIKeySBSWBNCPXWJNNY-QINSGFPZSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate 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-(3-phenylmethoxyphenyl)but-2-enoic acid
CID 68732642
ethyl (E)-3-(3-methoxy-4-phenylmethoxyphenyl)but-2-enoate
CID 23087678
ethyl 3-[2,5-bis(phenylmethoxy)phenyl]but-2-enoate
CID 54056047
ethyl (E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-enoate
CID 10502839
ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate
CID 69253409
(1-ethoxy-1,3-dioxobutan-2-yl) 3-phenylmethoxybenzoate
CID 139830136
ethyl 3-(3-cyanophenyl)but-2-enoate
CID 54537836
ethyl 4-[(3-acetylphenoxy)methyl]benzoate
CID 925874
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate
CID 170797112
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate?
The IUPAC name of ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate (CID 70527588) is ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate?
The canonical SMILES for ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate is CCOC(=O)/C=C(/C)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate?
The InChIKey is SBSWBNCPXWJNNY-QINSGFPZSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-21-19(20)12-15(2)17-10-7-11-18(13-17)22-14-16-8-5-4-6-9-16/h4-13H,3,14H2,1-2H3/b15-12-.
What are the key properties of ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate?
ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate has a molecular weight of 296.37 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate is sourced from PubChem (CID 70527588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).