6-anilinooxyhexan-3-ol

C12H19NO2 — CID 21497197

IUPAC6-anilinooxyhexan-3-ol
SMILESCCC(O)CCCONc1ccccc1
InChIInChI=1S/C12H19NO2/c1-2-12(14)9-6-10-15-13-11-7-4-3-5-8-11/h3-5,7-8,12-14H,2,6,9-10H2,1H3
InChIKeyQGRXXGMBFCRILN-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.58
Rot. Bonds7

About 6-anilinooxyhexan-3-ol

6-anilinooxyhexan-3-ol (PubChem CID 21497197) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-anilinooxyhexan-3-ol.

Molecular Properties

Compound Name6-anilinooxyhexan-3-ol
PubChem CID21497197
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name6-anilinooxyhexan-3-ol
SMILESCCC(O)CCCONc1ccccc1
InChIInChI=1S/C12H19NO2/c1-2-12(14)9-6-10-15-13-11-7-4-3-5-8-11/h3-5,7-8,12-14H,2,6,9-10H2,1H3
InChIKeyQGRXXGMBFCRILN-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-octoxyaniline
CID 53446638
N-propoxyaniline;hydrochloride
CID 158876543
6-(2,6-dimethylphenoxy)hexan-3-ol
CID 106802636
6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol
CID 68780789
bis(4-hydroxyhexyl) benzene-1,2-dicarboxylate
CID 175223027
6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol
CID 167993413
(4R)-4-hydroxy-N-phenylhexanamide
CID 155936166
6-(3-tert-butylphenoxy)hexan-3-ol
CID 106802689
1-anilinoheptacosan-13-ol
CID 151401190
6,6-diphenylhexan-3-ol
CID 57258566
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707

Frequently Asked Questions

What is the IUPAC name of 6-anilinooxyhexan-3-ol?
The IUPAC name of 6-anilinooxyhexan-3-ol (CID 21497197) is 6-anilinooxyhexan-3-ol.
What is the SMILES notation for 6-anilinooxyhexan-3-ol?
The canonical SMILES for 6-anilinooxyhexan-3-ol is CCC(O)CCCONc1ccccc1.
What is the InChIKey of 6-anilinooxyhexan-3-ol?
The InChIKey is QGRXXGMBFCRILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-12(14)9-6-10-15-13-11-7-4-3-5-8-11/h3-5,7-8,12-14H,2,6,9-10H2,1H3.
What are the key properties of 6-anilinooxyhexan-3-ol?
6-anilinooxyhexan-3-ol has a molecular weight of 209.29 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilinooxyhexan-3-ol is sourced from PubChem (CID 21497197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).