(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid

C17H16O5 — CID 83955645

IUPAC(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C17H16O5/c1-21-14-8-5-12(16(10-14)22-2)9-15(17(19)20)11-3-6-13(18)7-4-11/h3-10,18H,1-2H3,(H,19,20)/b15-9-
InChIKeyPTTDNKOVVCVRSN-DHDCSXOGSA-N
MW300.31 g/mol
LogP3.03
Rot. Bonds5

About (Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid

(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid (PubChem CID 83955645) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is (Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
PubChem CID83955645
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C17H16O5/c1-21-14-8-5-12(16(10-14)22-2)9-15(17(19)20)11-3-6-13(18)7-4-11/h3-10,18H,1-2H3,(H,19,20)/b15-9-
InChIKeyPTTDNKOVVCVRSN-DHDCSXOGSA-N
XLogP3.03
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.03
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)-3-(2,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83956182
(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)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 146079155
(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20984861
(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20991953
(Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid
CID 22687590
(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83950730
3-(2,5-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enoic acid
CID 145381862
(Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 83953150
(Z)-2-(2,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950731
2-[(E)-2-carboxy-2-(4-methoxyphenyl)ethenyl]-N-hydroxy-4,5-dimethoxybenzeneamine oxide
CID 20835256

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid (CID 83955645) is (Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid is COc1ccc(/C=C(\C(=O)O)c2ccc(O)cc2)c(OC)c1.
What is the InChIKey of (Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid?
The InChIKey is PTTDNKOVVCVRSN-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H16O5/c1-21-14-8-5-12(16(10-14)22-2)9-15(17(19)20)11-3-6-13(18)7-4-11/h3-10,18H,1-2H3,(H,19,20)/b15-9-.
What are the key properties of (Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid?
(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid has a molecular weight of 300.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83955645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).