[2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

C17H13NO7 — CID 35423058

IUPAC[2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2ccccc21)OCC(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H13NO7/c19-10-5-6-11(13(20)7-10)14(21)9-24-16(22)8-18-12-3-1-2-4-15(12)25-17(18)23/h1-7,19-20H,8-9H2
InChIKeyCRABEMUGRVSCBV-UHFFFAOYSA-N
MW343.29 g/mol
LogP1.43
Rot. Bonds5

About [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

[2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 35423058) has the molecular formula C17H13NO7 and a molecular weight of 343.29 g/mol. Its IUPAC name is [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name[2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID35423058
Molecular FormulaC17H13NO7
Molecular Weight343.29 g/mol
Exact Mass343.07
IUPAC Name[2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2ccccc21)OCC(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H13NO7/c19-10-5-6-11(13(20)7-10)14(21)9-24-16(22)8-18-12-3-1-2-4-15(12)25-17(18)23/h1-7,19-20H,8-9H2
InChIKeyCRABEMUGRVSCBV-UHFFFAOYSA-N
XLogP1.43
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 24521349
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401009
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401180
(3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401044
[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 42979488
[2-(2-fluorophenyl)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8726638
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7432363
(1,3-dioxoisoindol-2-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400824
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8726558
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401195
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (CID 35423058) is [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is O=C(Cn1c(=O)oc2ccccc21)OCC(=O)c1ccc(O)cc1O.
What is the InChIKey of [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is CRABEMUGRVSCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO7/c19-10-5-6-11(13(20)7-10)14(21)9-24-16(22)8-18-12-3-1-2-4-15(12)25-17(18)23/h1-7,19-20H,8-9H2.
What are the key properties of [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
[2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 343.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 35423058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).