5-methyl-2-(12-nitrosododecyl)phenol

C19H31NO2 — CID 54170946

IUPAC5-methyl-2-(12-nitrosododecyl)phenol
SMILESCc1ccc(CCCCCCCCCCCCN=O)c(O)c1
InChIInChI=1S/C19H31NO2/c1-17-13-14-18(19(21)16-17)12-10-8-6-4-2-3-5-7-9-11-15-20-22/h13-14,16,21H,2-12,15H2,1H3
InChIKeyOUZLRLPBLCDLQQ-UHFFFAOYSA-N
MW305.46 g/mol
LogP5.91
Rot. Bonds13

About 5-methyl-2-(12-nitrosododecyl)phenol

5-methyl-2-(12-nitrosododecyl)phenol (PubChem CID 54170946) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 5-methyl-2-(12-nitrosododecyl)phenol.

Molecular Properties

Compound Name5-methyl-2-(12-nitrosododecyl)phenol
PubChem CID54170946
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name5-methyl-2-(12-nitrosododecyl)phenol
SMILESCc1ccc(CCCCCCCCCCCCN=O)c(O)c1
InChIInChI=1S/C19H31NO2/c1-17-13-14-18(19(21)16-17)12-10-8-6-4-2-3-5-7-9-11-15-20-22/h13-14,16,21H,2-12,15H2,1H3
InChIKeyOUZLRLPBLCDLQQ-UHFFFAOYSA-N
XLogP5.91
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(12-nitrosododecyl)phenol?
The IUPAC name of 5-methyl-2-(12-nitrosododecyl)phenol (CID 54170946) is 5-methyl-2-(12-nitrosododecyl)phenol.
What is the SMILES notation for 5-methyl-2-(12-nitrosododecyl)phenol?
The canonical SMILES for 5-methyl-2-(12-nitrosododecyl)phenol is Cc1ccc(CCCCCCCCCCCCN=O)c(O)c1.
What is the InChIKey of 5-methyl-2-(12-nitrosododecyl)phenol?
The InChIKey is OUZLRLPBLCDLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-17-13-14-18(19(21)16-17)12-10-8-6-4-2-3-5-7-9-11-15-20-22/h13-14,16,21H,2-12,15H2,1H3.
What are the key properties of 5-methyl-2-(12-nitrosododecyl)phenol?
5-methyl-2-(12-nitrosododecyl)phenol has a molecular weight of 305.46 g/mol, XLogP of 5.91, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(12-nitrosododecyl)phenol is sourced from PubChem (CID 54170946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).