2-(2-nitroso-5-propylphenyl)-4-propylphenol

C18H21NO2 — CID 135266794

IUPAC2-(2-nitroso-5-propylphenyl)-4-propylphenol
SMILESCCCc1ccc(O)c(-c2cc(CCC)ccc2N=O)c1
InChIInChI=1S/C18H21NO2/c1-3-5-13-7-9-17(19-21)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,20H,3-6H2,1-2H3
InChIKeyWNKMGGRSEORIKF-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.36
Rot. Bonds6

About 2-(2-nitroso-5-propylphenyl)-4-propylphenol

2-(2-nitroso-5-propylphenyl)-4-propylphenol (PubChem CID 135266794) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2-nitroso-5-propylphenyl)-4-propylphenol.

Molecular Properties

Compound Name2-(2-nitroso-5-propylphenyl)-4-propylphenol
PubChem CID135266794
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(2-nitroso-5-propylphenyl)-4-propylphenol
SMILESCCCc1ccc(O)c(-c2cc(CCC)ccc2N=O)c1
InChIInChI=1S/C18H21NO2/c1-3-5-13-7-9-17(19-21)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,20H,3-6H2,1-2H3
InChIKeyWNKMGGRSEORIKF-UHFFFAOYSA-N
XLogP5.36
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol
CID 174351688
4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene
CID 121286154
azane;4-propylbenzene-1,2-diol;hydrobromide
CID 18923739
ethane;4-ethyl-2-nitrosophenol
CID 177045182
2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
CID 58663399
2-ethyl-5-propylphenol
CID 522454
2-(9H-fluoren-1-yl)-4-propylphenol
CID 151190186
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
(2-hydroxy-5-propylphenyl)methanediol
CID 139434284
ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate
CID 166450114
2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one
CID 130028653
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroso-5-propylphenyl)-4-propylphenol?
The IUPAC name of 2-(2-nitroso-5-propylphenyl)-4-propylphenol (CID 135266794) is 2-(2-nitroso-5-propylphenyl)-4-propylphenol.
What is the SMILES notation for 2-(2-nitroso-5-propylphenyl)-4-propylphenol?
The canonical SMILES for 2-(2-nitroso-5-propylphenyl)-4-propylphenol is CCCc1ccc(O)c(-c2cc(CCC)ccc2N=O)c1.
What is the InChIKey of 2-(2-nitroso-5-propylphenyl)-4-propylphenol?
The InChIKey is WNKMGGRSEORIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-5-13-7-9-17(19-21)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,20H,3-6H2,1-2H3.
What are the key properties of 2-(2-nitroso-5-propylphenyl)-4-propylphenol?
2-(2-nitroso-5-propylphenyl)-4-propylphenol has a molecular weight of 283.37 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroso-5-propylphenyl)-4-propylphenol is sourced from PubChem (CID 135266794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).