6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene

C16H14ClNO3 — CID 104835398

IUPAC6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene
SMILESO=[N+]([O-])c1c(Cl)cccc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H14ClNO3/c17-14-6-3-7-15(16(14)18(19)20)21-13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10H,1-2,4-5H2
InChIKeyUEWXPKGKPNLXLO-UHFFFAOYSA-N
MW303.75 g/mol
LogP4.92
Rot. Bonds3

About 6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene

6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 104835398) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene
PubChem CID104835398
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene
SMILESO=[N+]([O-])c1c(Cl)cccc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H14ClNO3/c17-14-6-3-7-15(16(14)18(19)20)21-13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10H,1-2,4-5H2
InChIKeyUEWXPKGKPNLXLO-UHFFFAOYSA-N
XLogP4.92
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(3-fluoro-4-nitrophenoxy)-2-nitrobenzene
CID 104835402
1-chloro-3-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 104835375
6-[2-(bromomethyl)-3-chlorophenoxy]-1,2,3,4-tetrahydronaphthalene
CID 107088177
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline
CID 113458730
3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine
CID 104835429
3-(3-chloro-2-nitrophenoxy)pyridine
CID 104835355
1-(3-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665261
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 55224942
[3-(3,4-dichlorophenoxy)-2-nitrophenyl]hydrazine
CID 80920158
1-(3-chloro-2-nitrophenoxy)-2-methyl-3-nitrobenzene
CID 104835380
1-chloro-2-nitro-3-(trichloromethoxy)benzene
CID 23344175
5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene
CID 43350469

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene (CID 104835398) is 6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene is O=[N+]([O-])c1c(Cl)cccc1Oc1ccc2c(c1)CCCC2.
What is the InChIKey of 6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is UEWXPKGKPNLXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-14-6-3-7-15(16(14)18(19)20)21-13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10H,1-2,4-5H2.
What are the key properties of 6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene?
6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 303.75 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 104835398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).