4-(3,5-dimethyl-4-nitrosophenyl)phenol

C14H13NO2 — CID 174688776

IUPAC4-(3,5-dimethyl-4-nitrosophenyl)phenol
SMILESCc1cc(-c2ccc(O)cc2)cc(C)c1N=O
InChIInChI=1S/C14H13NO2/c1-9-7-12(8-10(2)14(9)15-17)11-3-5-13(16)6-4-11/h3-8,16H,1-2H3
InChIKeyKRXHURVNYNUEGF-UHFFFAOYSA-N
MW227.26 g/mol
LogP4.07
Rot. Bonds2

About 4-(3,5-dimethyl-4-nitrosophenyl)phenol

4-(3,5-dimethyl-4-nitrosophenyl)phenol (PubChem CID 174688776) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(3,5-dimethyl-4-nitrosophenyl)phenol.

Molecular Properties

Compound Name4-(3,5-dimethyl-4-nitrosophenyl)phenol
PubChem CID174688776
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name4-(3,5-dimethyl-4-nitrosophenyl)phenol
SMILESCc1cc(-c2ccc(O)cc2)cc(C)c1N=O
InChIInChI=1S/C14H13NO2/c1-9-7-12(8-10(2)14(9)15-17)11-3-5-13(16)6-4-11/h3-8,16H,1-2H3
InChIKeyKRXHURVNYNUEGF-UHFFFAOYSA-N
XLogP4.07
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-4-nitrosophenyl)phenol?
The IUPAC name of 4-(3,5-dimethyl-4-nitrosophenyl)phenol (CID 174688776) is 4-(3,5-dimethyl-4-nitrosophenyl)phenol.
What is the SMILES notation for 4-(3,5-dimethyl-4-nitrosophenyl)phenol?
The canonical SMILES for 4-(3,5-dimethyl-4-nitrosophenyl)phenol is Cc1cc(-c2ccc(O)cc2)cc(C)c1N=O.
What is the InChIKey of 4-(3,5-dimethyl-4-nitrosophenyl)phenol?
The InChIKey is KRXHURVNYNUEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9-7-12(8-10(2)14(9)15-17)11-3-5-13(16)6-4-11/h3-8,16H,1-2H3.
What are the key properties of 4-(3,5-dimethyl-4-nitrosophenyl)phenol?
4-(3,5-dimethyl-4-nitrosophenyl)phenol has a molecular weight of 227.26 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-4-nitrosophenyl)phenol is sourced from PubChem (CID 174688776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).