(Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid

C19H20O4 — CID 83954190

IUPAC(Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid
SMILESCCOc1cc(/C=C(\C(=O)O)c2cc(C)ccc2C)ccc1O
InChIInChI=1S/C19H20O4/c1-4-23-18-11-14(7-8-17(18)20)10-16(19(21)22)15-9-12(2)5-6-13(15)3/h5-11,20H,4H2,1-3H3,(H,21,22)/b16-10-
InChIKeyZWMZOUVQRSEIQB-YBEGLDIGSA-N
MW312.37 g/mol
LogP4.03
Rot. Bonds5

About (Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid

(Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid (PubChem CID 83954190) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid
PubChem CID83954190
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid
SMILESCCOc1cc(/C=C(\C(=O)O)c2cc(C)ccc2C)ccc1O
InChIInChI=1S/C19H20O4/c1-4-23-18-11-14(7-8-17(18)20)10-16(19(21)22)15-9-12(2)5-6-13(15)3/h5-11,20H,4H2,1-3H3,(H,21,22)/b16-10-
InChIKeyZWMZOUVQRSEIQB-YBEGLDIGSA-N
XLogP4.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.03
H-Bond Donors ≤ 52
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-chloro-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 83953026
(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 112720533
(Z)-3-(4-butoxyphenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 83951937
3-(3-ethoxy-4-hydroxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 3498269
(Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83954820
ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate
CID 86626101
(Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid
CID 83955419
(Z)-2-(2,5-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83951821
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83955231
(Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952117
4-(2,2-dichloroethenyl)-2-ethoxyphenol
CID 87569986
(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)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid (CID 83954190) is (Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid is CCOc1cc(/C=C(\C(=O)O)c2cc(C)ccc2C)ccc1O.
What is the InChIKey of (Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid?
The InChIKey is ZWMZOUVQRSEIQB-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H20O4/c1-4-23-18-11-14(7-8-17(18)20)10-16(19(21)22)15-9-12(2)5-6-13(15)3/h5-11,20H,4H2,1-3H3,(H,21,22)/b16-10-.
What are the key properties of (Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid?
(Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid has a molecular weight of 312.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83954190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).