(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid

C20H22O5 — CID 20985032

IUPAC(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1cc(OC)ccc1/C=C(\C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C20H22O5/c1-4-11-25-19-13-17(24-3)10-7-15(19)12-18(20(21)22)14-5-8-16(23-2)9-6-14/h5-10,12-13H,4,11H2,1-3H3,(H,21,22)/b18-12-
InChIKeyAFTLVZOHGGPCHW-PDGQHHTCSA-N
MW342.39 g/mol
LogP4.12
Rot. Bonds8

About (Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid

(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid (PubChem CID 20985032) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is (Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
PubChem CID20985032
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1cc(OC)ccc1/C=C(\C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C20H22O5/c1-4-11-25-19-13-17(24-3)10-7-15(19)12-18(20(21)22)14-5-8-16(23-2)9-6-14/h5-10,12-13H,4,11H2,1-3H3,(H,21,22)/b18-12-
InChIKeyAFTLVZOHGGPCHW-PDGQHHTCSA-N
XLogP4.12
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20984861
(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
CID 22679856
(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 22682833
(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83955645
(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20987581
(Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 20993089
(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
CID 22685167
(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20991953
(Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 146079155
(Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid
CID 22687590
(Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid
CID 112720546
(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20989024

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid (CID 20985032) is (Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid is CCCOc1cc(OC)ccc1/C=C(\C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of (Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid?
The InChIKey is AFTLVZOHGGPCHW-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H22O5/c1-4-11-25-19-13-17(24-3)10-7-15(19)12-18(20(21)22)14-5-8-16(23-2)9-6-14/h5-10,12-13H,4,11H2,1-3H3,(H,21,22)/b18-12-.
What are the key properties of (Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid?
(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid has a molecular weight of 342.39 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 20985032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).