7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol

C10H11NO3 — CID 11008778

IUPAC7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO=[N+]([O-])c1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C10H11NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6,10,12H,1-3H2
InChIKeyGTNBTXJNXZBVJP-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.96
Rot. Bonds1

About 7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol

7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 11008778) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID11008778
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO=[N+]([O-])c1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C10H11NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6,10,12H,1-3H2
InChIKeyGTNBTXJNXZBVJP-UHFFFAOYSA-N
XLogP1.96
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.96
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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Related Compounds

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CID 22391802
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CID 130137681
(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 55278481
trans-(1S,3S)-3-[[[(1R)-7-nitro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]cyclopentan-1-ol
CID 124625892
7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 175738988
7-amino-1,2,3,4-tetrahydronaphthalen-1-ol
CID 15840809
8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 57278272
N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 54164704
7-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 91017574
1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 21338542
(1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 59952045
(4aS,10bS)-9-nitro-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 68912616

Frequently Asked Questions

What is the IUPAC name of 7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol (CID 11008778) is 7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol is O=[N+]([O-])c1ccc2c(c1)C(O)CCC2.
What is the InChIKey of 7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is GTNBTXJNXZBVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6,10,12H,1-3H2.
What are the key properties of 7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol?
7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 193.20 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 11008778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).