(2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol

C16H21NO2 — CID 125483663

IUPAC(2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol
SMILESO/N=C1\C[C@@H]2CCCC[C@H]2C[C@@]1(O)c1ccccc1
InChIInChI=1S/C16H21NO2/c18-16(14-8-2-1-3-9-14)11-13-7-5-4-6-12(13)10-15(16)17-19/h1-3,8-9,12-13,18-19H,4-7,10-11H2/b17-15+/t12-,13-,16+/m0/s1
InChIKeyKMELCHREZIDTNB-VZCSLJDYSA-N
MW259.35 g/mol
LogP3.30
Rot. Bonds1

About (2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol

(2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol (PubChem CID 125483663) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol
PubChem CID125483663
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol
SMILESO/N=C1\C[C@@H]2CCCC[C@H]2C[C@@]1(O)c1ccccc1
InChIInChI=1S/C16H21NO2/c18-16(14-8-2-1-3-9-14)11-13-7-5-4-6-12(13)10-15(16)17-19/h1-3,8-9,12-13,18-19H,4-7,10-11H2/b17-15+/t12-,13-,16+/m0/s1
InChIKeyKMELCHREZIDTNB-VZCSLJDYSA-N
XLogP3.30
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.30
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'}

Analyze (2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol
CID 5358801
(3S,4aS,8aS)-3-hydroxy-3-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-one
CID 125483700
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine
CID 135460880
(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol
CID 10567298
(1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol
CID 10564133
(NZ)-N-(2,2-diphenylcyclohexylidene)hydroxylamine
CID 102069739
1-phenylbicyclo[4.1.0]heptane
CID 582374
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
cis-(1R,2S)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid
CID 14915548
8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 611743
cis-(1S,3S)-1-phenylcyclohexane-1,3-diol
CID 130757537

Frequently Asked Questions

What is the IUPAC name of (2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol?
The IUPAC name of (2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol (CID 125483663) is (2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol?
The canonical SMILES for (2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol is O/N=C1\C[C@@H]2CCCC[C@H]2C[C@@]1(O)c1ccccc1.
What is the InChIKey of (2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol?
The InChIKey is KMELCHREZIDTNB-VZCSLJDYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(14-8-2-1-3-9-14)11-13-7-5-4-6-12(13)10-15(16)17-19/h1-3,8-9,12-13,18-19H,4-7,10-11H2/b17-15+/t12-,13-,16+/m0/s1.
What are the key properties of (2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol?
(2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol has a molecular weight of 259.35 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,4aS,8aS)-3-hydroxyimino-2-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ol is sourced from PubChem (CID 125483663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).