4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol

C12H11NO2 — CID 134549319

IUPAC4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol
SMILESO=Nc1ccc(C2=CC=C(O)CC2)cc1
InChIInChI=1S/C12H11NO2/c14-12-7-3-10(4-8-12)9-1-5-11(13-15)6-2-9/h1-3,5-7,14H,4,8H2
InChIKeyOHENCQGVFOGIQJ-UHFFFAOYSA-N
MW201.23 g/mol
LogP3.70
Rot. Bonds2

About 4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol

4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol (PubChem CID 134549319) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol
PubChem CID134549319
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol
SMILESO=Nc1ccc(C2=CC=C(O)CC2)cc1
InChIInChI=1S/C12H11NO2/c14-12-7-3-10(4-8-12)9-1-5-11(13-15)6-2-9/h1-3,5-7,14H,4,8H2
InChIKeyOHENCQGVFOGIQJ-UHFFFAOYSA-N
XLogP3.70
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol (CID 134549319) is 4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol is O=Nc1ccc(C2=CC=C(O)CC2)cc1.
What is the InChIKey of 4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is OHENCQGVFOGIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12-7-3-10(4-8-12)9-1-5-11(13-15)6-2-9/h1-3,5-7,14H,4,8H2.
What are the key properties of 4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol?
4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 201.23 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrosophenyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 134549319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).