2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one

C16H17NO2 — CID 139972450

IUPAC2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one
SMILESO=C1C2=C(C=CC1ONc1ccccc1)CCCC2
InChIInChI=1S/C16H17NO2/c18-16-14-9-5-4-6-12(14)10-11-15(16)19-17-13-7-2-1-3-8-13/h1-3,7-8,10-11,15,17H,4-6,9H2
InChIKeyJTUFNENLUKWZDG-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.41
Rot. Bonds3

About 2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one

2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one (PubChem CID 139972450) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one
PubChem CID139972450
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one
SMILESO=C1C2=C(C=CC1ONc1ccccc1)CCCC2
InChIInChI=1S/C16H17NO2/c18-16-14-9-5-4-6-12(14)10-11-15(16)19-17-13-7-2-1-3-8-13/h1-3,7-8,10-11,15,17H,4-6,9H2
InChIKeyJTUFNENLUKWZDG-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-anilinooxy-3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-one
CID 139972425
(2R)-2-anilinooxycyclohexan-1-one
CID 11310253
2-anilinooxycycloheptan-1-one
CID 23124527
cis-(2R,5S)-2-anilinooxy-5-methylcyclohexan-1-one
CID 11321951
2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 2812542
(2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol
CID 99641703
(2R,3S,4R,5R)-2-anilinooxyoxane-3,4,5-triol
CID 71620516
2-anilinooxy-2-methylcycloheptan-1-one
CID 139972445
N-anilinooxyarsonoyloxyaniline
CID 174957008
N-(1-cyclopentylpiperidin-4-yl)oxyaniline
CID 141120848
(2Z)-2-(phenylhydrazinylidene)cycloheptan-1-one
CID 152776828
cis-(2R,4S)-2-anilinooxy-4-butylcyclohexan-1-one
CID 89326713

Frequently Asked Questions

What is the IUPAC name of 2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one (CID 139972450) is 2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one is O=C1C2=C(C=CC1ONc1ccccc1)CCCC2.
What is the InChIKey of 2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one?
The InChIKey is JTUFNENLUKWZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16-14-9-5-4-6-12(14)10-11-15(16)19-17-13-7-2-1-3-8-13/h1-3,7-8,10-11,15,17H,4-6,9H2.
What are the key properties of 2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one?
2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one has a molecular weight of 255.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinooxy-5,6,7,8-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 139972450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).