7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene

C13H17NO3 — CID 10263473

IUPAC7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene
SMILESCOc1cc2c(cc1[N+](=O)[O-])C(C)(C)CCC2
InChIInChI=1S/C13H17NO3/c1-13(2)6-4-5-9-7-12(17-3)11(14(15)16)8-10(9)13/h7-8H,4-6H2,1-3H3
InChIKeyLUTDYDASZQIMFL-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.22
Rot. Bonds2

About 7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene

7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene (PubChem CID 10263473) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene
PubChem CID10263473
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene
SMILESCOc1cc2c(cc1[N+](=O)[O-])C(C)(C)CCC2
InChIInChI=1S/C13H17NO3/c1-13(2)6-4-5-9-7-12(17-3)11(14(15)16)8-10(9)13/h7-8H,4-6H2,1-3H3
InChIKeyLUTDYDASZQIMFL-UHFFFAOYSA-N
XLogP3.22
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.22
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

6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
CID 22218219
5,5'-dimethoxy-1,1,1',1'-tetramethyl-6,6'-dinitro-3,3'-spirobi[2H-indene]
CID 141498547
4,4-dimethyl-7-nitro-2,3-dihydro-1H-naphthalene
CID 13463290
6-methoxy-2,4,4-trimethyl-7-nitro-1,3-dihydroisoquinoline
CID 164568695
5-methoxy-6-nitro-2,3-dihydro-1H-isoindole;hydrochloride
CID 177238657
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
2-fluoro-5-methoxy-N-(1-methylcyclobutyl)-4-nitroaniline
CID 107260383
5-methoxy-2,4-dinitrobenzenethiol
CID 101493596
(2S)-5-methoxy-2-methyl-6-nitro-2,3-dihydro-1H-indole;hydrochloride
CID 67316649
7-methoxy-2-methyl-6-nitro-1H-isoquinoline
CID 138580919
5-methoxy-1,2,3,3-tetramethyl-6-nitroindol-1-ium
CID 22600713
2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 167322933

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene?
The IUPAC name of 7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene (CID 10263473) is 7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene is COc1cc2c(cc1[N+](=O)[O-])C(C)(C)CCC2.
What is the InChIKey of 7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene?
The InChIKey is LUTDYDASZQIMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2)6-4-5-9-7-12(17-3)11(14(15)16)8-10(9)13/h7-8H,4-6H2,1-3H3.
What are the key properties of 7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene?
7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene has a molecular weight of 235.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 10263473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).