(3-benzoyl-2-hydroxyphenyl) prop-2-enoate

C16H12O4 — CID 21134250

IUPAC(3-benzoyl-2-hydroxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C16H12O4/c1-2-14(17)20-13-10-6-9-12(16(13)19)15(18)11-7-4-3-5-8-11/h2-10,19H,1H2
InChIKeyKVJXEZUAOMGUAG-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.71
Rot. Bonds4

About (3-benzoyl-2-hydroxyphenyl) prop-2-enoate

(3-benzoyl-2-hydroxyphenyl) prop-2-enoate (PubChem CID 21134250) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (3-benzoyl-2-hydroxyphenyl) prop-2-enoate.

Molecular Properties

Compound Name(3-benzoyl-2-hydroxyphenyl) prop-2-enoate
PubChem CID21134250
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name(3-benzoyl-2-hydroxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C16H12O4/c1-2-14(17)20-13-10-6-9-12(16(13)19)15(18)11-7-4-3-5-8-11/h2-10,19H,1H2
InChIKeyKVJXEZUAOMGUAG-UHFFFAOYSA-N
XLogP2.71
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-benzoyl-5-hydroxyphenyl) prop-2-enoate
CID 139962678
benzoic acid;(2-hydroxyphenyl) prop-2-enoate
CID 174625141
(2-benzoyl-4-methylphenyl) prop-2-enoate
CID 89073800
[2-(4-nitrobenzoyl)phenyl] prop-2-enoate
CID 151855103
(2-benzoyl-4-tert-butylphenyl) prop-2-enoate
CID 141437960
[3-(5-benzoyl-3,4-dihydroxy-2-methoxyphenyl)-2-ethylphenyl] prop-2-enoate
CID 174526648
phenyl 2-prop-2-enoyloxybenzoate
CID 10858474
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate
CID 141065793
6-(2-benzoylphenoxy)hexyl prop-2-enoate
CID 172762769
[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
CID 151151993
(2-benzoyl-3,5-dichlorophenyl) prop-2-enoate
CID 20540258
naphthalen-1-yl prop-2-enoate
CID 10192638

Frequently Asked Questions

What is the IUPAC name of (3-benzoyl-2-hydroxyphenyl) prop-2-enoate?
The IUPAC name of (3-benzoyl-2-hydroxyphenyl) prop-2-enoate (CID 21134250) is (3-benzoyl-2-hydroxyphenyl) prop-2-enoate.
What is the SMILES notation for (3-benzoyl-2-hydroxyphenyl) prop-2-enoate?
The canonical SMILES for (3-benzoyl-2-hydroxyphenyl) prop-2-enoate is C=CC(=O)Oc1cccc(C(=O)c2ccccc2)c1O.
What is the InChIKey of (3-benzoyl-2-hydroxyphenyl) prop-2-enoate?
The InChIKey is KVJXEZUAOMGUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-2-14(17)20-13-10-6-9-12(16(13)19)15(18)11-7-4-3-5-8-11/h2-10,19H,1H2.
What are the key properties of (3-benzoyl-2-hydroxyphenyl) prop-2-enoate?
(3-benzoyl-2-hydroxyphenyl) prop-2-enoate has a molecular weight of 268.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyl-2-hydroxyphenyl) prop-2-enoate is sourced from PubChem (CID 21134250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).