(2-benzoyl-5-hydroxyphenyl) prop-2-enoate

C16H12O4 — CID 139962678

IUPAC(2-benzoyl-5-hydroxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(O)ccc1C(=O)c1ccccc1
InChIInChI=1S/C16H12O4/c1-2-15(18)20-14-10-12(17)8-9-13(14)16(19)11-6-4-3-5-7-11/h2-10,17H,1H2
InChIKeyMDNOSLNKEMKQEI-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.71
Rot. Bonds4

About (2-benzoyl-5-hydroxyphenyl) prop-2-enoate

(2-benzoyl-5-hydroxyphenyl) prop-2-enoate (PubChem CID 139962678) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2-benzoyl-5-hydroxyphenyl) prop-2-enoate.

Molecular Properties

Compound Name(2-benzoyl-5-hydroxyphenyl) prop-2-enoate
PubChem CID139962678
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name(2-benzoyl-5-hydroxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(O)ccc1C(=O)c1ccccc1
InChIInChI=1S/C16H12O4/c1-2-15(18)20-14-10-12(17)8-9-13(14)16(19)11-6-4-3-5-7-11/h2-10,17H,1H2
InChIKeyMDNOSLNKEMKQEI-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

(3-benzoyl-2-hydroxyphenyl) prop-2-enoate
CID 21134250
(2-benzoyl-4-methylphenyl) prop-2-enoate
CID 89073800
(2-benzoyl-4-tert-butylphenyl) prop-2-enoate
CID 141437960
(2-amino-5-hydroxyphenyl) prop-2-enoate
CID 174436758
benzoic acid;(2-hydroxyphenyl) prop-2-enoate
CID 174625141
(2-benzoyl-3,5-dichlorophenyl) prop-2-enoate
CID 20540258
[2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate
CID 101375909
[2-(4-nitrobenzoyl)phenyl] prop-2-enoate
CID 151855103
[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
CID 151151993
[2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone
CID 22935826
[3-benzoyl-2-(ethylamino)-6-methylphenyl] prop-2-enoate
CID 174659886
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate
CID 141065793

Frequently Asked Questions

What is the IUPAC name of (2-benzoyl-5-hydroxyphenyl) prop-2-enoate?
The IUPAC name of (2-benzoyl-5-hydroxyphenyl) prop-2-enoate (CID 139962678) is (2-benzoyl-5-hydroxyphenyl) prop-2-enoate.
What is the SMILES notation for (2-benzoyl-5-hydroxyphenyl) prop-2-enoate?
The canonical SMILES for (2-benzoyl-5-hydroxyphenyl) prop-2-enoate is C=CC(=O)Oc1cc(O)ccc1C(=O)c1ccccc1.
What is the InChIKey of (2-benzoyl-5-hydroxyphenyl) prop-2-enoate?
The InChIKey is MDNOSLNKEMKQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-2-15(18)20-14-10-12(17)8-9-13(14)16(19)11-6-4-3-5-7-11/h2-10,17H,1H2.
What are the key properties of (2-benzoyl-5-hydroxyphenyl) prop-2-enoate?
(2-benzoyl-5-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 (2-benzoyl-5-hydroxyphenyl) prop-2-enoate is sourced from PubChem (CID 139962678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).