1-(2,5-dimethyl-4-nitrophenoxy)naphthalene

C18H15NO3 — CID 66594066

IUPAC1-(2,5-dimethyl-4-nitrophenoxy)naphthalene
SMILESCc1cc([N+](=O)[O-])c(C)cc1Oc1cccc2ccccc12
InChIInChI=1S/C18H15NO3/c1-12-11-18(13(2)10-16(12)19(20)21)22-17-9-5-7-14-6-3-4-8-15(14)17/h3-11H,1-2H3
InChIKeyFTZLRVQYNLFRRC-UHFFFAOYSA-N
MW293.32 g/mol
LogP5.16
Rot. Bonds3

About 1-(2,5-dimethyl-4-nitrophenoxy)naphthalene

1-(2,5-dimethyl-4-nitrophenoxy)naphthalene (PubChem CID 66594066) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-nitrophenoxy)naphthalene.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-nitrophenoxy)naphthalene
PubChem CID66594066
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name1-(2,5-dimethyl-4-nitrophenoxy)naphthalene
SMILESCc1cc([N+](=O)[O-])c(C)cc1Oc1cccc2ccccc12
InChIInChI=1S/C18H15NO3/c1-12-11-18(13(2)10-16(12)19(20)21)22-17-9-5-7-14-6-3-4-8-15(14)17/h3-11H,1-2H3
InChIKeyFTZLRVQYNLFRRC-UHFFFAOYSA-N
XLogP5.16
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.32
LogP ≤ 55.16
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-methyl-4-nitrophenoxy)naphthalene
CID 13245951
1-[2-(bromomethyl)-3-chlorophenoxy]-2,5-dimethyl-4-nitrobenzene
CID 107088451
2-(2,5-dimethyl-4-nitrophenoxy)-6-fluorobenzonitrile
CID 78916032
[4-(2,5-dimethyl-4-nitrophenoxy)-3-methylphenyl]methanol
CID 63184821
1-(2-bromo-6-methyl-4-nitrophenoxy)naphthalene
CID 171129675
1-(3-tert-butylphenoxy)-2,5-dimethyl-4-nitrobenzene
CID 23434361
(4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone
CID 1336772
2-naphthalen-1-yloxy-5-nitroaniline
CID 62508135
2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine
CID 63180759
(2-methyl-4-nitrophenyl) naphthalen-1-yl carbonate
CID 174691673
1-[4-(bromomethyl)-2-fluorophenoxy]-2,5-dimethyl-4-nitrobenzene
CID 107088452
2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine
CID 79243325

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-4-nitrophenoxy)naphthalene?
The IUPAC name of 1-(2,5-dimethyl-4-nitrophenoxy)naphthalene (CID 66594066) is 1-(2,5-dimethyl-4-nitrophenoxy)naphthalene.
What is the SMILES notation for 1-(2,5-dimethyl-4-nitrophenoxy)naphthalene?
The canonical SMILES for 1-(2,5-dimethyl-4-nitrophenoxy)naphthalene is Cc1cc([N+](=O)[O-])c(C)cc1Oc1cccc2ccccc12.
What is the InChIKey of 1-(2,5-dimethyl-4-nitrophenoxy)naphthalene?
The InChIKey is FTZLRVQYNLFRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-11-18(13(2)10-16(12)19(20)21)22-17-9-5-7-14-6-3-4-8-15(14)17/h3-11H,1-2H3.
What are the key properties of 1-(2,5-dimethyl-4-nitrophenoxy)naphthalene?
1-(2,5-dimethyl-4-nitrophenoxy)naphthalene has a molecular weight of 293.32 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-4-nitrophenoxy)naphthalene is sourced from PubChem (CID 66594066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).