8-(4-hydroxyanilino)-8-oxooctanoic acid

C14H19NO4 — CID 59835382

IUPAC8-(4-hydroxyanilino)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H19NO4/c16-12-9-7-11(8-10-12)15-13(17)5-3-1-2-4-6-14(18)19/h7-10,16H,1-6H2,(H,15,17)(H,18,19)
InChIKeyHRMDBOSJOQYYRT-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.76
Rot. Bonds8

About 8-(4-hydroxyanilino)-8-oxooctanoic acid

8-(4-hydroxyanilino)-8-oxooctanoic acid (PubChem CID 59835382) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 8-(4-hydroxyanilino)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(4-hydroxyanilino)-8-oxooctanoic acid
PubChem CID59835382
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name8-(4-hydroxyanilino)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H19NO4/c16-12-9-7-11(8-10-12)15-13(17)5-3-1-2-4-6-14(18)19/h7-10,16H,1-6H2,(H,15,17)(H,18,19)
InChIKeyHRMDBOSJOQYYRT-UHFFFAOYSA-N
XLogP2.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650
8-oxo-8-(4-phenylanilino)octanoic acid
CID 23092302
8-[4-(hydroxymethyl)anilino]-8-oxooctanoic acid
CID 57326777
6-oxo-6-(4-sulfanylanilino)hexanoic acid
CID 139939209
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
6-oxo-6-(thiophen-3-ylamino)hexanoic acid
CID 66350156
5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid
CID 756962
N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365

Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxyanilino)-8-oxooctanoic acid?
The IUPAC name of 8-(4-hydroxyanilino)-8-oxooctanoic acid (CID 59835382) is 8-(4-hydroxyanilino)-8-oxooctanoic acid.
What is the SMILES notation for 8-(4-hydroxyanilino)-8-oxooctanoic acid?
The canonical SMILES for 8-(4-hydroxyanilino)-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of 8-(4-hydroxyanilino)-8-oxooctanoic acid?
The InChIKey is HRMDBOSJOQYYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-12-9-7-11(8-10-12)15-13(17)5-3-1-2-4-6-14(18)19/h7-10,16H,1-6H2,(H,15,17)(H,18,19).
What are the key properties of 8-(4-hydroxyanilino)-8-oxooctanoic acid?
8-(4-hydroxyanilino)-8-oxooctanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxyanilino)-8-oxooctanoic acid is sourced from PubChem (CID 59835382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).