1-hydroxyimino-1-phenyl-3-propylheptan-2-ol

C16H25NO2 — CID 87636267

IUPAC1-hydroxyimino-1-phenyl-3-propylheptan-2-ol
SMILESCCCCC(CCC)C(O)C(=NO)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-3-5-10-14(9-4-2)16(18)15(17-19)13-11-7-6-8-12-13/h6-8,11-12,14,16,18-19H,3-5,9-10H2,1-2H3
InChIKeyCWIKHDHJXRMXGP-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.83
Rot. Bonds8

About 1-hydroxyimino-1-phenyl-3-propylheptan-2-ol

1-hydroxyimino-1-phenyl-3-propylheptan-2-ol (PubChem CID 87636267) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-hydroxyimino-1-phenyl-3-propylheptan-2-ol.

Molecular Properties

Compound Name1-hydroxyimino-1-phenyl-3-propylheptan-2-ol
PubChem CID87636267
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-hydroxyimino-1-phenyl-3-propylheptan-2-ol
SMILESCCCCC(CCC)C(O)C(=NO)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-3-5-10-14(9-4-2)16(18)15(17-19)13-11-7-6-8-12-13/h6-8,11-12,14,16,18-19H,3-5,9-10H2,1-2H3
InChIKeyCWIKHDHJXRMXGP-UHFFFAOYSA-N
XLogP3.83
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.83
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

3-butyl-1-hydroxyimino-1-phenyldecan-2-ol
CID 87364737
dibutyltin;(2Z)-2-hydroxyimino-1,2-diphenylethanol
CID 6310409
N-[2-(dimethylamino)-1-phenylbutylidene]hydroxylamine;N-[2-(dimethylamino)-1-phenylpentylidene]hydroxylamine
CID 162253710
1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol
CID 86742843
4-ethylnonan-5-ylbenzene
CID 173025957
1-hydroxyimino-4-methyl-1-phenylhexan-2-ol
CID 87881302
(1S)-1-phenylpentan-1-ol
CID 6992754
1-phenyl-2-propylpentan-1-ol
CID 82987900
N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine
CID 71364022
tributyl(1-phenylethenyl)phosphanium
CID 71320893
(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol
CID 10774706
benzoic acid;decan-5-ol
CID 71345643

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyimino-1-phenyl-3-propylheptan-2-ol?
The IUPAC name of 1-hydroxyimino-1-phenyl-3-propylheptan-2-ol (CID 87636267) is 1-hydroxyimino-1-phenyl-3-propylheptan-2-ol.
What is the SMILES notation for 1-hydroxyimino-1-phenyl-3-propylheptan-2-ol?
The canonical SMILES for 1-hydroxyimino-1-phenyl-3-propylheptan-2-ol is CCCCC(CCC)C(O)C(=NO)c1ccccc1.
What is the InChIKey of 1-hydroxyimino-1-phenyl-3-propylheptan-2-ol?
The InChIKey is CWIKHDHJXRMXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-5-10-14(9-4-2)16(18)15(17-19)13-11-7-6-8-12-13/h6-8,11-12,14,16,18-19H,3-5,9-10H2,1-2H3.
What are the key properties of 1-hydroxyimino-1-phenyl-3-propylheptan-2-ol?
1-hydroxyimino-1-phenyl-3-propylheptan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyimino-1-phenyl-3-propylheptan-2-ol is sourced from PubChem (CID 87636267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).