2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid

C16H14O4 — CID 139651263

IUPAC2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(C=C(Oc2ccccc2O)C(=O)O)cc1
InChIInChI=1S/C16H14O4/c1-11-6-8-12(9-7-11)10-15(16(18)19)20-14-5-3-2-4-13(14)17/h2-10,17H,1H3,(H,18,19)
InChIKeyIKSRIXMHTXTDIC-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.21
Rot. Bonds4

About 2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid

2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid (PubChem CID 139651263) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid
PubChem CID139651263
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(C=C(Oc2ccccc2O)C(=O)O)cc1
InChIInChI=1S/C16H14O4/c1-11-6-8-12(9-7-11)10-15(16(18)19)20-14-5-3-2-4-13(14)17/h2-10,17H,1H3,(H,18,19)
InChIKeyIKSRIXMHTXTDIC-UHFFFAOYSA-N
XLogP3.21
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyphenoxy)-3-[4-(2-methylpropyl)phenyl]prop-2-enoic acid
CID 139651292
2-(4-methylphenoxy)-3-(4-prop-2-enoxyphenyl)prop-2-enoic acid
CID 139651340
[(Z)-1-(4-methylphenyl)-3-oxo-3-phenylprop-1-en-2-yl] acetate
CID 132576918
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
2-(3,5-dimethoxyphenoxy)-3-phenylprop-2-enoic acid
CID 139651308
phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 174899385
(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
2-(2-phenoxyphenoxy)but-2-enoic acid
CID 70607804
(Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 102229425
(2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate
CID 171485584

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid?
The IUPAC name of 2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid (CID 139651263) is 2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid?
The canonical SMILES for 2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid is Cc1ccc(C=C(Oc2ccccc2O)C(=O)O)cc1.
What is the InChIKey of 2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid?
The InChIKey is IKSRIXMHTXTDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-11-6-8-12(9-7-11)10-15(16(18)19)20-14-5-3-2-4-13(14)17/h2-10,17H,1H3,(H,18,19).
What are the key properties of 2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid?
2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenoxy)-3-(4-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 139651263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).