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

C20H22O5 — CID 22682833

IUPAC(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1c(/C=C(\C(=O)O)c2ccc(OC)cc2)cccc1OC
InChIInChI=1S/C20H22O5/c1-4-12-25-19-15(6-5-7-18(19)24-3)13-17(20(21)22)14-8-10-16(23-2)11-9-14/h5-11,13H,4,12H2,1-3H3,(H,21,22)/b17-13-
InChIKeyUYIMOJATFALMJX-LGMDPLHJSA-N
MW342.39 g/mol
LogP4.12
Rot. Bonds8

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

(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid (PubChem CID 22682833) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is (Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid
PubChem CID22682833
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1c(/C=C(\C(=O)O)c2ccc(OC)cc2)cccc1OC
InChIInChI=1S/C20H22O5/c1-4-12-25-19-15(6-5-7-18(19)24-3)13-17(20(21)22)14-8-10-16(23-2)11-9-14/h5-11,13H,4,12H2,1-3H3,(H,21,22)/b17-13-
InChIKeyUYIMOJATFALMJX-LGMDPLHJSA-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)-3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20988799
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83951771
(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20985032
(Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid
CID 83951414
(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
CID 22685167
(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20984861
(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20989024
(Z)-3-(4-butoxy-3-chloro-5-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 22680887
(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20987581
(Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20990227
(Z)-2-(4-chlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954995
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid (CID 22682833) is (Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid is CCCOc1c(/C=C(\C(=O)O)c2ccc(OC)cc2)cccc1OC.
What is the InChIKey of (Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid?
The InChIKey is UYIMOJATFALMJX-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H22O5/c1-4-12-25-19-15(6-5-7-18(19)24-3)13-17(20(21)22)14-8-10-16(23-2)11-9-14/h5-11,13H,4,12H2,1-3H3,(H,21,22)/b17-13-.
What are the key properties of (Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid?
(Z)-2-(4-methoxyphenyl)-3-(3-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-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 22682833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).