(4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate

C17H16O3 — CID 54312549

IUPAC(4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate
SMILESCc1ccc(COC(=O)C=Cc2ccccc2O)cc1
InChIInChI=1S/C17H16O3/c1-13-6-8-14(9-7-13)12-20-17(19)11-10-15-4-2-3-5-16(15)18/h2-11,18H,12H2,1H3
InChIKeySLXPKNUOHRJDOO-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.46
Rot. Bonds4

About (4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate

(4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate (PubChem CID 54312549) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate
PubChem CID54312549
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate
SMILESCc1ccc(COC(=O)C=Cc2ccccc2O)cc1
InChIInChI=1S/C17H16O3/c1-13-6-8-14(9-7-13)12-20-17(19)11-10-15-4-2-3-5-16(15)18/h2-11,18H,12H2,1H3
InChIKeySLXPKNUOHRJDOO-UHFFFAOYSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzyl (E)-3-(2-methylphenyl)prop-2-enoate
CID 16742105
(4-methylphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2551665
benzyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 140721856
(4-cyanophenyl)methyl 3-(4-methylphenyl)prop-2-enoate
CID 3898761
(4-methoxyphenyl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate
CID 16961147
(4-cyanophenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 2613119
(4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 7740353
(4-cyanophenyl)methyl (E)-3-(2-chlorophenyl)prop-2-enoate
CID 6055047
(4-propan-2-ylphenyl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate
CID 7794930
ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CID 6441630
(3-methylphenyl)methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 8873171
benzyl (E)-but-2-enoate
CID 5356259

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate?
The IUPAC name of (4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate (CID 54312549) is (4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for (4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate is Cc1ccc(COC(=O)C=Cc2ccccc2O)cc1.
What is the InChIKey of (4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate?
The InChIKey is SLXPKNUOHRJDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-13-6-8-14(9-7-13)12-20-17(19)11-10-15-4-2-3-5-16(15)18/h2-11,18H,12H2,1H3.
What are the key properties of (4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate?
(4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate has a molecular weight of 268.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 3-(2-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 54312549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).