7-methyl-1-nitronaphthalen-2-ol

C11H9NO3 — CID 170439338

IUPAC7-methyl-1-nitronaphthalen-2-ol
SMILESCc1ccc2ccc(O)c([N+](=O)[O-])c2c1
InChIInChI=1S/C11H9NO3/c1-7-2-3-8-4-5-10(13)11(12(14)15)9(8)6-7/h2-6,13H,1H3
InChIKeyHKQKKICEHJUKKI-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.76
Rot. Bonds1

About 7-methyl-1-nitronaphthalen-2-ol

7-methyl-1-nitronaphthalen-2-ol (PubChem CID 170439338) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 7-methyl-1-nitronaphthalen-2-ol.

Molecular Properties

Compound Name7-methyl-1-nitronaphthalen-2-ol
PubChem CID170439338
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name7-methyl-1-nitronaphthalen-2-ol
SMILESCc1ccc2ccc(O)c([N+](=O)[O-])c2c1
InChIInChI=1S/C11H9NO3/c1-7-2-3-8-4-5-10(13)11(12(14)15)9(8)6-7/h2-6,13H,1H3
InChIKeyHKQKKICEHJUKKI-UHFFFAOYSA-N
XLogP2.76
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.76
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-nitronaphthalen-2-ol?
The IUPAC name of 7-methyl-1-nitronaphthalen-2-ol (CID 170439338) is 7-methyl-1-nitronaphthalen-2-ol.
What is the SMILES notation for 7-methyl-1-nitronaphthalen-2-ol?
The canonical SMILES for 7-methyl-1-nitronaphthalen-2-ol is Cc1ccc2ccc(O)c([N+](=O)[O-])c2c1.
What is the InChIKey of 7-methyl-1-nitronaphthalen-2-ol?
The InChIKey is HKQKKICEHJUKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-2-3-8-4-5-10(13)11(12(14)15)9(8)6-7/h2-6,13H,1H3.
What are the key properties of 7-methyl-1-nitronaphthalen-2-ol?
7-methyl-1-nitronaphthalen-2-ol has a molecular weight of 203.20 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-nitronaphthalen-2-ol is sourced from PubChem (CID 170439338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).