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

C19H20O5 — CID 83952138

IUPAC(Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1ccc(/C=C(\C(=O)O)c2ccc(O)cc2)cc1OC
InChIInChI=1S/C19H20O5/c1-3-10-24-17-9-4-13(12-18(17)23-2)11-16(19(21)22)14-5-7-15(20)8-6-14/h4-9,11-12,20H,3,10H2,1-2H3,(H,21,22)/b16-11-
InChIKeyUIWKRBCOOANHKT-WJDWOHSUSA-N
MW328.36 g/mol
LogP3.81
Rot. Bonds7

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

(Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid (PubChem CID 83952138) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
PubChem CID83952138
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1ccc(/C=C(\C(=O)O)c2ccc(O)cc2)cc1OC
InChIInChI=1S/C19H20O5/c1-3-10-24-17-9-4-13(12-18(17)23-2)11-16(19(21)22)14-5-7-15(20)8-6-14/h4-9,11-12,20H,3,10H2,1-2H3,(H,21,22)/b16-11-
InChIKeyUIWKRBCOOANHKT-WJDWOHSUSA-N
XLogP3.81
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
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-(4-hydroxyphenyl)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 83953947
(Z)-3-(3-butoxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83951529
(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20987581
(Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952117
(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 22680499
(Z)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83951988
(Z)-3-(3-bromo-4-propoxyphenyl)-2-phenylprop-2-enoic acid
CID 20988508
4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
CID 22970780
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-enoic acid
CID 79726677
(Z)-2-(4-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid
CID 83952582
(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20984861
(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
CID 22685167

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid (CID 83952138) is (Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid is CCCOc1ccc(/C=C(\C(=O)O)c2ccc(O)cc2)cc1OC.
What is the InChIKey of (Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid?
The InChIKey is UIWKRBCOOANHKT-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H20O5/c1-3-10-24-17-9-4-13(12-18(17)23-2)11-16(19(21)22)14-5-7-15(20)8-6-14/h4-9,11-12,20H,3,10H2,1-2H3,(H,21,22)/b16-11-.
What are the key properties of (Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid?
(Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid has a molecular weight of 328.36 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83952138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).