4-nitroso-6-propan-2-ylbenzene-1,3-diol

C9H11NO3 — CID 146350171

IUPAC4-nitroso-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(N=O)c(O)cc1O
InChIInChI=1S/C9H11NO3/c1-5(2)6-3-7(10-13)9(12)4-8(6)11/h3-5,11-12H,1-2H3
InChIKeyNTZYHEXTEQMXJU-UHFFFAOYSA-N
MW181.19 g/mol
LogP2.62
Rot. Bonds2

About 4-nitroso-6-propan-2-ylbenzene-1,3-diol

4-nitroso-6-propan-2-ylbenzene-1,3-diol (PubChem CID 146350171) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-nitroso-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-nitroso-6-propan-2-ylbenzene-1,3-diol
PubChem CID146350171
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-nitroso-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(N=O)c(O)cc1O
InChIInChI=1S/C9H11NO3/c1-5(2)6-3-7(10-13)9(12)4-8(6)11/h3-5,11-12H,1-2H3
InChIKeyNTZYHEXTEQMXJU-UHFFFAOYSA-N
XLogP2.62
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-nitroso-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-nitroso-6-propan-2-ylbenzene-1,3-diol (CID 146350171) is 4-nitroso-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-nitroso-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-nitroso-6-propan-2-ylbenzene-1,3-diol is CC(C)c1cc(N=O)c(O)cc1O.
What is the InChIKey of 4-nitroso-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is NTZYHEXTEQMXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5(2)6-3-7(10-13)9(12)4-8(6)11/h3-5,11-12H,1-2H3.
What are the key properties of 4-nitroso-6-propan-2-ylbenzene-1,3-diol?
4-nitroso-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 181.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 146350171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).