1-nitroso-1-phenyldecan-3-ol

C16H25NO2 — CID 56975349

IUPAC1-nitroso-1-phenyldecan-3-ol
SMILESCCCCCCCC(O)CC(N=O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-9-12-15(18)13-16(17-19)14-10-7-6-8-11-14/h6-8,10-11,15-16,18H,2-5,9,12-13H2,1H3
InChIKeyFEFCTNKOLKFEPX-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.61
Rot. Bonds10

About 1-nitroso-1-phenyldecan-3-ol

1-nitroso-1-phenyldecan-3-ol (PubChem CID 56975349) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-nitroso-1-phenyldecan-3-ol.

Molecular Properties

Compound Name1-nitroso-1-phenyldecan-3-ol
PubChem CID56975349
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-nitroso-1-phenyldecan-3-ol
SMILESCCCCCCCC(O)CC(N=O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-9-12-15(18)13-16(17-19)14-10-7-6-8-11-14/h6-8,10-11,15-16,18H,2-5,9,12-13H2,1H3
InChIKeyFEFCTNKOLKFEPX-UHFFFAOYSA-N
XLogP4.61
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-diphenyltetradecan-3-ol
CID 102298194
1,1-diphenylheptan-3-ol
CID 132530442
(1R)-1-phenyloctan-1-ol
CID 12794259
9-nitroso-9-phenylnonan-2-ol
CID 57211090
10-hydroxy-2-phenyloctadecanoic acid
CID 67642354
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764
sulfuric acid;tridecan-2-ylbenzene
CID 70428622
1-phenylsulfanylundecan-2-ol
CID 65142065
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
hentriacontane-14,16-diol
CID 87514654

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-1-phenyldecan-3-ol?
The IUPAC name of 1-nitroso-1-phenyldecan-3-ol (CID 56975349) is 1-nitroso-1-phenyldecan-3-ol.
What is the SMILES notation for 1-nitroso-1-phenyldecan-3-ol?
The canonical SMILES for 1-nitroso-1-phenyldecan-3-ol is CCCCCCCC(O)CC(N=O)c1ccccc1.
What is the InChIKey of 1-nitroso-1-phenyldecan-3-ol?
The InChIKey is FEFCTNKOLKFEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-5-9-12-15(18)13-16(17-19)14-10-7-6-8-11-14/h6-8,10-11,15-16,18H,2-5,9,12-13H2,1H3.
What are the key properties of 1-nitroso-1-phenyldecan-3-ol?
1-nitroso-1-phenyldecan-3-ol has a molecular weight of 263.38 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-1-phenyldecan-3-ol is sourced from PubChem (CID 56975349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).