4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol

C24H33NO2 — CID 174328101

IUPAC4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol
SMILESO=Nc1ccc(C2(C3=CC=C(O)CC3)CCCCCCCCCCC2)cc1
InChIInChI=1S/C24H33NO2/c26-23-16-12-21(13-17-23)24(20-10-14-22(25-27)15-11-20)18-8-6-4-2-1-3-5-7-9-19-24/h10-12,14-16,26H,1-9,13,17-19H2
InChIKeyMASHNEHKHRHWMT-UHFFFAOYSA-N
MW367.53 g/mol
LogP7.79
Rot. Bonds3

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

4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol (PubChem CID 174328101) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol
PubChem CID174328101
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol
SMILESO=Nc1ccc(C2(C3=CC=C(O)CC3)CCCCCCCCCCC2)cc1
InChIInChI=1S/C24H33NO2/c26-23-16-12-21(13-17-23)24(20-10-14-22(25-27)15-11-20)18-8-6-4-2-1-3-5-7-9-19-24/h10-12,14-16,26H,1-9,13,17-19H2
InChIKeyMASHNEHKHRHWMT-UHFFFAOYSA-N
XLogP7.79
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol (CID 174328101) is 4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol is O=Nc1ccc(C2(C3=CC=C(O)CC3)CCCCCCCCCCC2)cc1.
What is the InChIKey of 4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol?
The InChIKey is MASHNEHKHRHWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c26-23-16-12-21(13-17-23)24(20-10-14-22(25-27)15-11-20)18-8-6-4-2-1-3-5-7-9-19-24/h10-12,14-16,26H,1-9,13,17-19H2.
What are the key properties of 4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol?
4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol has a molecular weight of 367.53 g/mol, XLogP of 7.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-nitrosophenyl)cyclododecyl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 174328101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).