acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide

C14H17NO8 — CID 23621309

IUPACacetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide
SMILESCC(=O)O.CC(=O)O.NC(=O)Cc1oc2cc(O)ccc2c1O
InChIInChI=1S/C10H9NO4.2C2H4O2/c11-9(13)4-8-10(14)6-2-1-5(12)3-7(6)15-8;2*1-2(3)4/h1-3,12,14H,4H2,(H2,11,13);2*1H3,(H,3,4)
InChIKeyHNDMPIPVXYIONC-UHFFFAOYSA-N
MW327.29 g/mol
LogP1.05
Rot. Bonds2

About acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide

acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide (PubChem CID 23621309) has the molecular formula C14H17NO8 and a molecular weight of 327.29 g/mol. Its IUPAC name is acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide.

Molecular Properties

Compound Nameacetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide
PubChem CID23621309
Molecular FormulaC14H17NO8
Molecular Weight327.29 g/mol
Exact Mass327.10
IUPAC Nameacetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide
SMILESCC(=O)O.CC(=O)O.NC(=O)Cc1oc2cc(O)ccc2c1O
InChIInChI=1S/C10H9NO4.2C2H4O2/c11-9(13)4-8-10(14)6-2-1-5(12)3-7(6)15-8;2*1-2(3)4/h1-3,12,14H,4H2,(H2,11,13);2*1H3,(H,3,4)
InChIKeyHNDMPIPVXYIONC-UHFFFAOYSA-N
XLogP1.05
TPSA171.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 51.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

4,7-dihydroxy-2-oxochromene-3-carboxamide
CID 54698717
(4,7-dihydroxy-2-oxochromen-3-yl) acetate
CID 54735281
2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide
CID 54695489
3-amino-4,7-dihydroxychromen-2-one
CID 54691343
(4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid
CID 123577970
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
3-benzyl-4,7-dihydroxychromen-2-one
CID 54682330
4,7-dihydroxy-2-oxochromene-3-carbaldehyde
CID 137208579
6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid
CID 22143529
(3,5-dibromo-4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-(2-ethyl-6-hydroxy-1-benzofuran-3-yl)methanone
CID 169442050
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide?
The IUPAC name of acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide (CID 23621309) is acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide.
What is the SMILES notation for acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide?
The canonical SMILES for acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide is CC(=O)O.CC(=O)O.NC(=O)Cc1oc2cc(O)ccc2c1O.
What is the InChIKey of acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide?
The InChIKey is HNDMPIPVXYIONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4.2C2H4O2/c11-9(13)4-8-10(14)6-2-1-5(12)3-7(6)15-8;2*1-2(3)4/h1-3,12,14H,4H2,(H2,11,13);2*1H3,(H,3,4).
What are the key properties of acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide?
acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide has a molecular weight of 327.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide is sourced from PubChem (CID 23621309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).