ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane

C18H22O6 — CID 159507892

IUPACethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
SMILESC.CC.O=C(OCOC(=O)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C15H12O6.C2H6.CH4/c16-12-7-3-1-5-10(12)14(18)20-9-21-15(19)11-6-2-4-8-13(11)17;1-2;/h1-8,16-17H,9H2;1-2H3;1H4
InChIKeyMAFOFWWXIKPDES-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.73
Rot. Bonds4

About ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane

ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane (PubChem CID 159507892) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane.

Molecular Properties

Compound Nameethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
PubChem CID159507892
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Nameethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
SMILESC.CC.O=C(OCOC(=O)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C15H12O6.C2H6.CH4/c16-12-7-3-1-5-10(12)14(18)20-9-21-15(19)11-6-2-4-8-13(11)17;1-2;/h1-8,16-17H,9H2;1-2H3;1H4
InChIKeyMAFOFWWXIKPDES-UHFFFAOYSA-N
XLogP3.73
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
2-fluoroethyl 2-hydroxybenzoate
CID 158044446
2-chloroethyl 2-hydroxybenzoate
CID 13052757
benzoyloxymethoxyphosphanyloxymethyl 2-hydroxybenzoate
CID 141116513
amino 2-hydroxybenzoate
CID 12598418
methyl 2-hydroxybenzoate;urea
CID 174888687
icosyl 2-hydroxybenzoate
CID 19044963
benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
butyl 2-hydroxybenzoate;carbonic acid
CID 146405927
hexacosyl 2-hydroxybenzoate
CID 19044965
hexyl 2-hydroxybenzoate
CID 22629
magnesium;butyl 2-hydroxybenzoate;chromium;hydride
CID 174457991

Frequently Asked Questions

What is the IUPAC name of ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane?
The IUPAC name of ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane (CID 159507892) is ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane.
What is the SMILES notation for ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane?
The canonical SMILES for ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane is C.CC.O=C(OCOC(=O)c1ccccc1O)c1ccccc1O.
What is the InChIKey of ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane?
The InChIKey is MAFOFWWXIKPDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6.C2H6.CH4/c16-12-7-3-1-5-10(12)14(18)20-9-21-15(19)11-6-2-4-8-13(11)17;1-2;/h1-8,16-17H,9H2;1-2H3;1H4.
What are the key properties of ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane?
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane has a molecular weight of 334.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane is sourced from PubChem (CID 159507892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).