4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol

C16H15NO2 — CID 129409898

IUPAC4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol
SMILESO/N=C1/c2ccccc2CC[C@H]1c1ccc(O)cc1
InChIInChI=1S/C16H15NO2/c18-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)16(15)17-19/h1-6,8-9,15,18-19H,7,10H2/b17-16-/t15-/m0/s1
InChIKeyXLFDOHWMRWMFHJ-DZHJMQLISA-N
MW253.30 g/mol
LogP3.30
Rot. Bonds1

About 4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol

4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol (PubChem CID 129409898) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol.

Molecular Properties

Compound Name4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol
PubChem CID129409898
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol
SMILESO/N=C1/c2ccccc2CC[C@H]1c1ccc(O)cc1
InChIInChI=1S/C16H15NO2/c18-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)16(15)17-19/h1-6,8-9,15,18-19H,7,10H2/b17-16-/t15-/m0/s1
InChIKeyXLFDOHWMRWMFHJ-DZHJMQLISA-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 ≤ 500253.30
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 4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol 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

(NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 129409889
(NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10659475
(NE)-N-(7-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 10635537
N-(2-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 85451708
(3S)-3-(4-hydroxyphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129404884
4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
CID 93476534
6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 158814676
(NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 6183753
(2S)-2-naphthalen-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 90280813
(NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine
CID 5383421
2-[(1R)-2,3-dihydro-1H-inden-1-yl]phenol
CID 86317176
(E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine
CID 10599690

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol?
The IUPAC name of 4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol (CID 129409898) is 4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol.
What is the SMILES notation for 4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol?
The canonical SMILES for 4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol is O/N=C1/c2ccccc2CC[C@H]1c1ccc(O)cc1.
What is the InChIKey of 4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol?
The InChIKey is XLFDOHWMRWMFHJ-DZHJMQLISA-N. The full InChI is InChI=1S/C16H15NO2/c18-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)16(15)17-19/h1-6,8-9,15,18-19H,7,10H2/b17-16-/t15-/m0/s1.
What are the key properties of 4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol?
4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol has a molecular weight of 253.30 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 4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol is sourced from PubChem (CID 129409898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).