(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid

C17H16O5 — CID 83955231

IUPAC(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(/C=C(\C(=O)O)c2ccccc2OC)ccc1O
InChIInChI=1S/C17H16O5/c1-21-15-6-4-3-5-12(15)13(17(19)20)9-11-7-8-14(18)16(10-11)22-2/h3-10,18H,1-2H3,(H,19,20)/b13-9-
InChIKeyCBOKLIUXEFFYHY-LCYFTJDESA-N
MW300.31 g/mol
LogP3.03
Rot. Bonds5

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

(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid (PubChem CID 83955231) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is (Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
PubChem CID83955231
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(/C=C(\C(=O)O)c2ccccc2OC)ccc1O
InChIInChI=1S/C17H16O5/c1-21-15-6-4-3-5-12(15)13(17(19)20)9-11-7-8-14(18)16(10-11)22-2/h3-10,18H,1-2H3,(H,19,20)/b13-9-
InChIKeyCBOKLIUXEFFYHY-LCYFTJDESA-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

4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid
CID 83955775
(Z)-2-(2,5-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83955246
(Z)-3-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83953650
(Z)-2-[5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 138533045
2-chloro-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 165355248
(Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83951109
(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 112720535
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-phenylbutanoic acid
CID 90970881
4-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]pentanoic acid
CID 175346635
(Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83956118
(Z)-2-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955074

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid (CID 83955231) is (Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid is COc1cc(/C=C(\C(=O)O)c2ccccc2OC)ccc1O.
What is the InChIKey of (Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
The InChIKey is CBOKLIUXEFFYHY-LCYFTJDESA-N. The full InChI is InChI=1S/C17H16O5/c1-21-15-6-4-3-5-12(15)13(17(19)20)9-11-7-8-14(18)16(10-11)22-2/h3-10,18H,1-2H3,(H,19,20)/b13-9-.
What are the key properties of (Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)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-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83955231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).