1-hydroxyimino-4-methyl-1-phenylhexan-2-ol

C13H19NO2 — CID 87881302

IUPAC1-hydroxyimino-4-methyl-1-phenylhexan-2-ol
SMILESCCC(C)CC(O)C(=NO)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-10(2)9-12(15)13(14-16)11-7-5-4-6-8-11/h4-8,10,12,15-16H,3,9H2,1-2H3
InChIKeyRTCCQUUFYOPWST-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.66
Rot. Bonds5

About 1-hydroxyimino-4-methyl-1-phenylhexan-2-ol

1-hydroxyimino-4-methyl-1-phenylhexan-2-ol (PubChem CID 87881302) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-hydroxyimino-4-methyl-1-phenylhexan-2-ol.

Molecular Properties

Compound Name1-hydroxyimino-4-methyl-1-phenylhexan-2-ol
PubChem CID87881302
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-hydroxyimino-4-methyl-1-phenylhexan-2-ol
SMILESCCC(C)CC(O)C(=NO)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-10(2)9-12(15)13(14-16)11-7-5-4-6-8-11/h4-8,10,12,15-16H,3,9H2,1-2H3
InChIKeyRTCCQUUFYOPWST-UHFFFAOYSA-N
XLogP2.66
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol
CID 86742843
(NZ)-N-[(2S)-1,2-diphenylpropylidene]hydroxylamine
CID 98569832
(NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine
CID 172934456
(NZ)-N-(2,2-difluoro-1-phenylethylidene)hydroxylamine
CID 22769392
1-hydroxyimino-1-phenyl-3-propylheptan-2-ol
CID 87636267
N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine
CID 162253710
3-butyl-1-hydroxyimino-1-phenyldecan-2-ol
CID 87364737
(2S)-3-phenylpentan-2-ol
CID 45048673
3-methyl-1-(4-phenylphenyl)pentan-1-ol
CID 65148669
6-methyl-N-[(E)-1-phenylprop-1-enyl]octan-4-amine
CID 155725964
dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol
CID 6310409
diphenylmethanone;3-methylheptane
CID 174880774

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyimino-4-methyl-1-phenylhexan-2-ol?
The IUPAC name of 1-hydroxyimino-4-methyl-1-phenylhexan-2-ol (CID 87881302) is 1-hydroxyimino-4-methyl-1-phenylhexan-2-ol.
What is the SMILES notation for 1-hydroxyimino-4-methyl-1-phenylhexan-2-ol?
The canonical SMILES for 1-hydroxyimino-4-methyl-1-phenylhexan-2-ol is CCC(C)CC(O)C(=NO)c1ccccc1.
What is the InChIKey of 1-hydroxyimino-4-methyl-1-phenylhexan-2-ol?
The InChIKey is RTCCQUUFYOPWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-10(2)9-12(15)13(14-16)11-7-5-4-6-8-11/h4-8,10,12,15-16H,3,9H2,1-2H3.
What are the key properties of 1-hydroxyimino-4-methyl-1-phenylhexan-2-ol?
1-hydroxyimino-4-methyl-1-phenylhexan-2-ol has a molecular weight of 221.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyimino-4-methyl-1-phenylhexan-2-ol is sourced from PubChem (CID 87881302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).