benzoic acid;(2-hydroxyphenyl) prop-2-enoate

C16H14O5 — CID 174625141

IUPACbenzoic acid;(2-hydroxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1O.O=C(O)c1ccccc1
InChIInChI=1S/C9H8O3.C7H6O2/c1-2-9(11)12-8-6-4-3-5-7(8)10;8-7(9)6-4-2-1-3-5-6/h2-6,10H,1H2;1-5H,(H,8,9)
InChIKeyNJXBJISQUAOSJU-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.87
Rot. Bonds3

About benzoic acid;(2-hydroxyphenyl) prop-2-enoate

benzoic acid;(2-hydroxyphenyl) prop-2-enoate (PubChem CID 174625141) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is benzoic acid;(2-hydroxyphenyl) prop-2-enoate.

Molecular Properties

Compound Namebenzoic acid;(2-hydroxyphenyl) prop-2-enoate
PubChem CID174625141
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Namebenzoic acid;(2-hydroxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1O.O=C(O)c1ccccc1
InChIInChI=1S/C9H8O3.C7H6O2/c1-2-9(11)12-8-6-4-3-5-7(8)10;8-7(9)6-4-2-1-3-5-6/h2-6,10H,1H2;1-5H,(H,8,9)
InChIKeyNJXBJISQUAOSJU-UHFFFAOYSA-N
XLogP2.87
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
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

benzoic acid;(2-hydroxy-4-methylphenyl) prop-2-enoate
CID 174882954
2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160674288
(3-benzoyl-2-hydroxyphenyl) prop-2-enoate
CID 21134250
3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid
CID 57198834
benzoic acid;3-hydroxypropyl prop-2-enoate
CID 161094010
(2-methoxyphenyl) prop-2-enoate
CID 22987486
(2-benzoyl-5-hydroxyphenyl) prop-2-enoate
CID 139962678
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 89405419
naphthalen-1-yl prop-2-enoate
CID 10192638
benzoic acid;(2-hydroxyphenyl) nitrate
CID 174507477
phenyl 2-prop-2-enoyloxybenzoate
CID 10858474

Frequently Asked Questions

What is the IUPAC name of benzoic acid;(2-hydroxyphenyl) prop-2-enoate?
The IUPAC name of benzoic acid;(2-hydroxyphenyl) prop-2-enoate (CID 174625141) is benzoic acid;(2-hydroxyphenyl) prop-2-enoate.
What is the SMILES notation for benzoic acid;(2-hydroxyphenyl) prop-2-enoate?
The canonical SMILES for benzoic acid;(2-hydroxyphenyl) prop-2-enoate is C=CC(=O)Oc1ccccc1O.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;(2-hydroxyphenyl) prop-2-enoate?
The InChIKey is NJXBJISQUAOSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.C7H6O2/c1-2-9(11)12-8-6-4-3-5-7(8)10;8-7(9)6-4-2-1-3-5-6/h2-6,10H,1H2;1-5H,(H,8,9).
What are the key properties of benzoic acid;(2-hydroxyphenyl) prop-2-enoate?
benzoic acid;(2-hydroxyphenyl) prop-2-enoate has a molecular weight of 286.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;(2-hydroxyphenyl) prop-2-enoate is sourced from PubChem (CID 174625141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).