5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene

C16H14ClNO3 — CID 13245975

IUPAC5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene
SMILESO=[N+]([O-])c1ccc(Oc2cccc3c2CCCC3)c(Cl)c1
InChIInChI=1S/C16H14ClNO3/c17-14-10-12(18(19)20)8-9-16(14)21-15-7-3-5-11-4-1-2-6-13(11)15/h3,5,7-10H,1-2,4,6H2
InChIKeyDHYIWVQMDLKAAT-UHFFFAOYSA-N
MW303.75 g/mol
LogP4.92
Rot. Bonds3

About 5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene

5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 13245975) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene
PubChem CID13245975
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene
SMILESO=[N+]([O-])c1ccc(Oc2cccc3c2CCCC3)c(Cl)c1
InChIInChI=1S/C16H14ClNO3/c17-14-10-12(18(19)20)8-9-16(14)21-15-7-3-5-11-4-1-2-6-13(11)15/h3,5,7-10H,1-2,4,6H2
InChIKeyDHYIWVQMDLKAAT-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

1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665251
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
CID 54915300
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344
2-(2-chloro-4-nitrophenoxy)benzamide
CID 9251332
2-chloro-1-[4-chloro-2-(chloromethyl)phenoxy]-4-nitrobenzene
CID 114847061
1-[3-chloro-4-(2-chloro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81151385
2-chloro-1-(2,4-dibromophenoxy)-4-nitrobenzene
CID 5161397
3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline
CID 13246032
4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
CID 67390461

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene (CID 13245975) is 5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene is O=[N+]([O-])c1ccc(Oc2cccc3c2CCCC3)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DHYIWVQMDLKAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-14-10-12(18(19)20)8-9-16(14)21-15-7-3-5-11-4-1-2-6-13(11)15/h3,5,7-10H,1-2,4,6H2.
What are the key properties of 5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene?
5-(2-chloro-4-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 5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 13245975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).