anilinooxy(methoxy)methanol

C8H11NO3 — CID 174983355

IUPACanilinooxy(methoxy)methanol
SMILESCOC(O)ONc1ccccc1
InChIInChI=1S/C8H11NO3/c1-11-8(10)12-9-7-5-3-2-4-6-7/h2-6,8-10H,1H3
InChIKeySEFHRWYXXGPRBA-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.95
Rot. Bonds4

About anilinooxy(methoxy)methanol

anilinooxy(methoxy)methanol (PubChem CID 174983355) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is anilinooxy(methoxy)methanol.

Molecular Properties

Compound Nameanilinooxy(methoxy)methanol
PubChem CID174983355
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameanilinooxy(methoxy)methanol
SMILESCOC(O)ONc1ccccc1
InChIInChI=1S/C8H11NO3/c1-11-8(10)12-9-7-5-3-2-4-6-7/h2-6,8-10H,1H3
InChIKeySEFHRWYXXGPRBA-UHFFFAOYSA-N
XLogP0.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzene;N-methoxyaniline
CID 159505017
(2R)-2-anilinooxypropan-1-ol
CID 11252218
4-N-methoxy-1-N-phenylbenzene-1,4-diamine
CID 23137119
acetic acid;N-methoxyaniline
CID 174899473
(2R)-2-anilinooxy-3-methylbutan-1-ol
CID 11480999
anilino cyanate
CID 57256741
isocyanic acid;N-methoxyaniline
CID 172774828
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
methyl 2-anilinooxyacetate
CID 154072974
methyl 2-anilinooxycarbonyloxypropanoate
CID 134425332
methyl 4-[[(2S)-1-oxo-1-phenylpropan-2-yl]oxyamino]benzoate
CID 102259350
N-sulfanyloxyaniline
CID 141339499

Frequently Asked Questions

What is the IUPAC name of anilinooxy(methoxy)methanol?
The IUPAC name of anilinooxy(methoxy)methanol (CID 174983355) is anilinooxy(methoxy)methanol.
What is the SMILES notation for anilinooxy(methoxy)methanol?
The canonical SMILES for anilinooxy(methoxy)methanol is COC(O)ONc1ccccc1.
What is the InChIKey of anilinooxy(methoxy)methanol?
The InChIKey is SEFHRWYXXGPRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-11-8(10)12-9-7-5-3-2-4-6-7/h2-6,8-10H,1H3.
What are the key properties of anilinooxy(methoxy)methanol?
anilinooxy(methoxy)methanol has a molecular weight of 169.18 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anilinooxy(methoxy)methanol is sourced from PubChem (CID 174983355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).