(Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid

C19H19ClO4 — CID 112720546

IUPAC(Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid
SMILESCCOc1ccc(/C=C(\C(=O)O)c2ccc(Cl)cc2)c(OCC)c1
InChIInChI=1S/C19H19ClO4/c1-3-23-16-10-7-14(18(12-16)24-4-2)11-17(19(21)22)13-5-8-15(20)9-6-13/h5-12H,3-4H2,1-2H3,(H,21,22)/b17-11-
InChIKeyVCNWSXGRHGSCAN-BOPFTXTBSA-N
MW346.81 g/mol
LogP4.76
Rot. Bonds7

About (Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid

(Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid (PubChem CID 112720546) has the molecular formula C19H19ClO4 and a molecular weight of 346.81 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid
PubChem CID112720546
Molecular FormulaC19H19ClO4
Molecular Weight346.81 g/mol
Exact Mass346.10
IUPAC Name(Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid
SMILESCCOc1ccc(/C=C(\C(=O)O)c2ccc(Cl)cc2)c(OCC)c1
InChIInChI=1S/C19H19ClO4/c1-3-23-16-10-7-14(18(12-16)24-4-2)11-17(19(21)22)13-5-8-15(20)9-6-13/h5-12H,3-4H2,1-2H3,(H,21,22)/b17-11-
InChIKeyVCNWSXGRHGSCAN-BOPFTXTBSA-N
XLogP4.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)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

(Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid
CID 22687590
3-(4-chlorophenyl)-2-(3,4-diethoxyphenyl)prop-2-enoic acid
CID 1421836
(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20985032
(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
CID 22679856
(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20984861
(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83955645
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
(Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid
CID 83955311
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
4-[(Z)-2-carboxy-2-(3-ethoxyphenyl)ethenyl]benzoic acid
CID 83955793
(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20991953

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid (CID 112720546) is (Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid is CCOc1ccc(/C=C(\C(=O)O)c2ccc(Cl)cc2)c(OCC)c1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid?
The InChIKey is VCNWSXGRHGSCAN-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H19ClO4/c1-3-23-16-10-7-14(18(12-16)24-4-2)11-17(19(21)22)13-5-8-15(20)9-6-13/h5-12H,3-4H2,1-2H3,(H,21,22)/b17-11-.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid?
(Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid has a molecular weight of 346.81 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 112720546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).