(2-hydroxyphenyl) 4-prop-2-enylbenzoate

C16H14O3 — CID 67917162

IUPAC(2-hydroxyphenyl) 4-prop-2-enylbenzoate
SMILESC=CCc1ccc(C(=O)Oc2ccccc2O)cc1
InChIInChI=1S/C16H14O3/c1-2-5-12-8-10-13(11-9-12)16(18)19-15-7-4-3-6-14(15)17/h2-4,6-11,17H,1,5H2
InChIKeyRETUFQFBAKPCBP-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.34
Rot. Bonds4

About (2-hydroxyphenyl) 4-prop-2-enylbenzoate

(2-hydroxyphenyl) 4-prop-2-enylbenzoate (PubChem CID 67917162) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is (2-hydroxyphenyl) 4-prop-2-enylbenzoate.

Molecular Properties

Compound Name(2-hydroxyphenyl) 4-prop-2-enylbenzoate
PubChem CID67917162
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name(2-hydroxyphenyl) 4-prop-2-enylbenzoate
SMILESC=CCc1ccc(C(=O)Oc2ccccc2O)cc1
InChIInChI=1S/C16H14O3/c1-2-5-12-8-10-13(11-9-12)16(18)19-15-7-4-3-6-14(15)17/h2-4,6-11,17H,1,5H2
InChIKeyRETUFQFBAKPCBP-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxyphenyl) 4-fluorobenzoate
CID 91711747
fluoro 4-prop-2-enylbenzoate
CID 20652812
1,2-bis[4-(4-prop-2-enylphenyl)phenyl]ethane-1,2-dione
CID 67848404
bis(2-prop-2-enylphenyl) 4-prop-2-enylnaphthalene-2,6-dicarboxylate
CID 147077770
2-chloro-4-(4-prop-2-enylbenzoyl)oxybenzoic acid
CID 70566597
(2-cyano-4-prop-2-enylphenyl) 3-cyano-4-prop-2-enoxybenzoate
CID 70581046
(3-chloro-4-cyanophenyl) 4-prop-2-enylbenzoate
CID 70599863
bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate
CID 67944878
[2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
CID 59350326
(2-methylphenyl) 4-ethenylbenzoate
CID 101047505
[2-[4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoyl]oxyphenyl] 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate
CID 59181099
(4-phenylphenyl) 4-but-3-enylbenzoate
CID 19972225

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 4-prop-2-enylbenzoate?
The IUPAC name of (2-hydroxyphenyl) 4-prop-2-enylbenzoate (CID 67917162) is (2-hydroxyphenyl) 4-prop-2-enylbenzoate.
What is the SMILES notation for (2-hydroxyphenyl) 4-prop-2-enylbenzoate?
The canonical SMILES for (2-hydroxyphenyl) 4-prop-2-enylbenzoate is C=CCc1ccc(C(=O)Oc2ccccc2O)cc1.
What is the InChIKey of (2-hydroxyphenyl) 4-prop-2-enylbenzoate?
The InChIKey is RETUFQFBAKPCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-5-12-8-10-13(11-9-12)16(18)19-15-7-4-3-6-14(15)17/h2-4,6-11,17H,1,5H2.
What are the key properties of (2-hydroxyphenyl) 4-prop-2-enylbenzoate?
(2-hydroxyphenyl) 4-prop-2-enylbenzoate has a molecular weight of 254.28 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) 4-prop-2-enylbenzoate is sourced from PubChem (CID 67917162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).