(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid

C19H20O4 — CID 22685167

IUPAC(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1cccc(/C=C(/C(=O)O)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H20O4/c1-3-11-23-17-6-4-5-14(12-17)13-18(19(20)21)15-7-9-16(22-2)10-8-15/h4-10,12-13H,3,11H2,1-2H3,(H,20,21)/b18-13+
InChIKeyLWOHTOQLSIYPSP-QGOAFFKASA-N
MW312.37 g/mol
LogP4.11
Rot. Bonds7

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

(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid (PubChem CID 22685167) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
PubChem CID22685167
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1cccc(/C=C(/C(=O)O)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H20O4/c1-3-11-23-17-6-4-5-14(12-17)13-18(19(20)21)15-7-9-16(22-2)10-8-15/h4-10,12-13H,3,11H2,1-2H3,(H,20,21)/b18-13+
InChIKeyLWOHTOQLSIYPSP-QGOAFFKASA-N
XLogP4.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.11
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'}

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Related Compounds

(Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20984254
(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
CID 22682893
(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20987581
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20985032
(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 22682833
(Z)-2-(3,4-dimethoxyphenyl)-3-[3-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoic acid
CID 22682522
2-(4-aminophenyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 54537556
(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 118274610
(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid
CID 83954778
2-cyano-3-(3-propoxyphenyl)prop-2-enoic acid
CID 20985500

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid (CID 22685167) is (E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid is CCCOc1cccc(/C=C(/C(=O)O)c2ccc(OC)cc2)c1.
What is the InChIKey of (E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid?
The InChIKey is LWOHTOQLSIYPSP-QGOAFFKASA-N. The full InChI is InChI=1S/C19H20O4/c1-3-11-23-17-6-4-5-14(12-17)13-18(19(20)21)15-7-9-16(22-2)10-8-15/h4-10,12-13H,3,11H2,1-2H3,(H,20,21)/b18-13+.
What are the key properties of (E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid?
(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid has a molecular weight of 312.37 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 22685167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).