acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate

C15H18O7 — CID 158691957

IUPACacetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.CC(=O)OC(=O)c1ccccc1O
InChIInChI=1S/C9H8O4.C6H10O3/c1-6(10)13-9(12)7-4-2-3-5-8(7)11;1-5(2)6(8)9-4-3-7/h2-5,11H,1H3;7H,1,3-4H2,2H3
InChIKeyIGLQLMWXHXYLNM-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.19
Rot. Bonds4

About acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate

acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 158691957) has the molecular formula C15H18O7 and a molecular weight of 310.30 g/mol. Its IUPAC name is acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameacetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate
PubChem CID158691957
Molecular FormulaC15H18O7
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Nameacetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.CC(=O)OC(=O)c1ccccc1O
InChIInChI=1S/C9H8O4.C6H10O3/c1-6(10)13-9(12)7-4-2-3-5-8(7)11;1-5(2)6(8)9-4-3-7/h2-5,11H,1H3;7H,1,3-4H2,2H3
InChIKeyIGLQLMWXHXYLNM-UHFFFAOYSA-N
XLogP1.19
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate (CID 158691957) is acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCO.CC(=O)OC(=O)c1ccccc1O.
What is the InChIKey of acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is IGLQLMWXHXYLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4.C6H10O3/c1-6(10)13-9(12)7-4-2-3-5-8(7)11;1-5(2)6(8)9-4-3-7/h2-5,11H,1H3;7H,1,3-4H2,2H3.
What are the key properties of acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate?
acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 310.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 158691957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).