3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate

C14H16O5 — CID 118331656

IUPAC3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate
SMILESC=C(C)C(=O)OCCCOC(=O)c1cccc(O)c1
InChIInChI=1S/C14H16O5/c1-10(2)13(16)18-7-4-8-19-14(17)11-5-3-6-12(15)9-11/h3,5-6,9,15H,1,4,7-8H2,2H3
InChIKeyKZYHMAIHYGSCEI-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.06
Rot. Bonds6

About 3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate

3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate (PubChem CID 118331656) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate.

Molecular Properties

Compound Name3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate
PubChem CID118331656
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate
SMILESC=C(C)C(=O)OCCCOC(=O)c1cccc(O)c1
InChIInChI=1S/C14H16O5/c1-10(2)13(16)18-7-4-8-19-14(17)11-5-3-6-12(15)9-11/h3,5-6,9,15H,1,4,7-8H2,2H3
InChIKeyKZYHMAIHYGSCEI-UHFFFAOYSA-N
XLogP2.06
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate
CID 118331658
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 22572510
5-(2-methylprop-2-enoyloxy)pentyl 3-chloro-4-hydroxybenzoate
CID 11267383
3-phenylpropyl 3-hydroxybenzoate
CID 16641326
2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate
CID 89122297
propyl 2-(3-hydroxyphenyl)prop-2-enoate
CID 174372133
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate
CID 118331665
4-(2-methylprop-2-enoyloxy)butyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
CID 171768525
3-(2-methylprop-2-enoyloxy)propyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 118333815
benzoyl benzenecarboperoxoate;butyl 2-methylprop-2-enoate
CID 21486215
2-(2-methylprop-2-enoyloxy)ethyl 3,5-diaminobenzoate
CID 2306460
2-(2-methylprop-2-enoyloxy)ethyl 4-methylbenzoate
CID 20723903

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate?
The IUPAC name of 3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate (CID 118331656) is 3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate.
What is the SMILES notation for 3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate?
The canonical SMILES for 3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate is C=C(C)C(=O)OCCCOC(=O)c1cccc(O)c1.
What is the InChIKey of 3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate?
The InChIKey is KZYHMAIHYGSCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-10(2)13(16)18-7-4-8-19-14(17)11-5-3-6-12(15)9-11/h3,5-6,9,15H,1,4,7-8H2,2H3.
What are the key properties of 3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate?
3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate has a molecular weight of 264.28 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate is sourced from PubChem (CID 118331656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).