1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene

C20H23NO3 — CID 10616047

IUPAC1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(Oc3ccccc3[N+](=O)[O-])ccc21
InChIInChI=1S/C20H23NO3/c1-19(2)11-12-20(3,4)16-13-14(9-10-15(16)19)24-18-8-6-5-7-17(18)21(22)23/h5-10,13H,11-12H2,1-4H3
InChIKeyDGSKXQJBXZPIQG-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.74
Rot. Bonds3

About 1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene

1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene (PubChem CID 10616047) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene
PubChem CID10616047
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(Oc3ccccc3[N+](=O)[O-])ccc21
InChIInChI=1S/C20H23NO3/c1-19(2)11-12-20(3,4)16-13-14(9-10-15(16)19)24-18-8-6-5-7-17(18)21(22)23/h5-10,13H,11-12H2,1-4H3
InChIKeyDGSKXQJBXZPIQG-UHFFFAOYSA-N
XLogP5.74
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.74
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

1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine
CID 10713006
3-(2-nitrophenoxy)aniline
CID 12638058
2-chloro-4-(2-nitrophenoxy)benzonitrile
CID 62947163
N-[[3-(2-nitrophenoxy)phenyl]methyl]propan-2-amine
CID 63942526
3-(2-nitrophenoxy)benzonitrile
CID 9194888
5-(2-nitrophenoxy)pyridin-3-amine
CID 104536596
1-(3-ethynylphenoxy)-2-nitrobenzene
CID 166925142
[4-(2-nitrophenoxy)phenyl]phosphonic acid
CID 18506154
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
3-(4-amino-3-nitrophenoxy)benzene-1,2-diamine
CID 69307177

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene?
The IUPAC name of 1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene (CID 10616047) is 1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene.
What is the SMILES notation for 1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene?
The canonical SMILES for 1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene is CC1(C)CCC(C)(C)c2cc(Oc3ccccc3[N+](=O)[O-])ccc21.
What is the InChIKey of 1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene?
The InChIKey is DGSKXQJBXZPIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-19(2)11-12-20(3,4)16-13-14(9-10-15(16)19)24-18-8-6-5-7-17(18)21(22)23/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene?
1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene has a molecular weight of 325.41 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene is sourced from PubChem (CID 10616047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).