(2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid

C17H24AsNO6 — CID 174387826

IUPAC(2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid
SMILESC=CCCCCCCC(=O)O[As](=O)(O)c1ccc(O)cc1NC(C)=O
InChIInChI=1S/C17H24AsNO6/c1-3-4-5-6-7-8-9-17(22)25-18(23,24)15-11-10-14(21)12-16(15)19-13(2)20/h3,10-12,21H,1,4-9H2,2H3,(H,19,20)(H,23,24)
InChIKeyBHYOICJBHNDFCX-UHFFFAOYSA-N
MW413.30 g/mol
LogP1.99
Rot. Bonds10

About (2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid

(2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid (PubChem CID 174387826) has the molecular formula C17H24AsNO6 and a molecular weight of 413.30 g/mol. Its IUPAC name is (2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid.

Molecular Properties

Compound Name(2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid
PubChem CID174387826
Molecular FormulaC17H24AsNO6
Molecular Weight413.30 g/mol
Exact Mass413.08
IUPAC Name(2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid
SMILESC=CCCCCCCC(=O)O[As](=O)(O)c1ccc(O)cc1NC(C)=O
InChIInChI=1S/C17H24AsNO6/c1-3-4-5-6-7-8-9-17(22)25-18(23,24)15-11-10-14(21)12-16(15)19-13(2)20/h3,10-12,21H,1,4-9H2,2H3,(H,19,20)(H,23,24)
InChIKeyBHYOICJBHNDFCX-UHFFFAOYSA-N
XLogP1.99
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-acetamido-4-hydroxyphenyl)-[(Z)-5-hydroxy-4-phosphorosopent-2-enoyl]oxyarsinic acid
CID 174961146
(2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid
CID 175249712
undec-10-enoyl 4-hydroxybenzoate
CID 173176022
[(2-acetamido-4-hydroxyphenyl)-methoxyarsoryl] (Z)-3-phenylprop-2-enoate
CID 174664736
but-3-enyl hept-6-enoate
CID 86101121
dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002
dec-9-eneperoxoic acid
CID 177164421
undec-10-enoyl benzenecarboperoxoate
CID 14098196
sulfanyl undec-10-enoate
CID 87067735
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
methyl (E)-4-(2-acetamido-5-hydroxyphenyl)but-3-enoate
CID 12065677
naphthalen-2-yl undec-10-enoate
CID 4206376

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid?
The IUPAC name of (2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid (CID 174387826) is (2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid.
What is the SMILES notation for (2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid?
The canonical SMILES for (2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid is C=CCCCCCCC(=O)O[As](=O)(O)c1ccc(O)cc1NC(C)=O.
What is the InChIKey of (2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid?
The InChIKey is BHYOICJBHNDFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24AsNO6/c1-3-4-5-6-7-8-9-17(22)25-18(23,24)15-11-10-14(21)12-16(15)19-13(2)20/h3,10-12,21H,1,4-9H2,2H3,(H,19,20)(H,23,24).
What are the key properties of (2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid?
(2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid has a molecular weight of 413.30 g/mol, XLogP of 1.99, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-4-hydroxyphenyl)-non-8-enoyloxyarsinic acid is sourced from PubChem (CID 174387826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).