2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol

C18H19NO2 — CID 174351688

IUPAC2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2cc(CCC)ccc2N=O)c1
InChIInChI=1S/C18H19NO2/c1-3-5-13-7-9-17(19-21)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h4,7-12,20H,2-3,5-6H2,1H3
InChIKeyBAFOLTLSCNECBS-UHFFFAOYSA-N
MW281.36 g/mol
LogP5.14
Rot. Bonds6

About 2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol

2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol (PubChem CID 174351688) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol
PubChem CID174351688
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2cc(CCC)ccc2N=O)c1
InChIInChI=1S/C18H19NO2/c1-3-5-13-7-9-17(19-21)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h4,7-12,20H,2-3,5-6H2,1H3
InChIKeyBAFOLTLSCNECBS-UHFFFAOYSA-N
XLogP5.14
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-nitroso-5-propylphenyl)-4-propylphenol
CID 135266794
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587
ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline
CID 88951276
4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene
CID 121286154
2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol
CID 163721087
2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 157385914
[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate
CID 174918165
(4R,5S)-5-hydroxy-4-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]hexan-3-one
CID 163005298
4-prop-2-enyl-2-sulfanylphenol
CID 89013961
2-butan-2-yl-4-prop-2-enylphenol
CID 155933594
7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol
CID 102144038

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol?
The IUPAC name of 2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol (CID 174351688) is 2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol.
What is the SMILES notation for 2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol?
The canonical SMILES for 2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol is C=CCc1ccc(O)c(-c2cc(CCC)ccc2N=O)c1.
What is the InChIKey of 2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol?
The InChIKey is BAFOLTLSCNECBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-5-13-7-9-17(19-21)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h4,7-12,20H,2-3,5-6H2,1H3.
What are the key properties of 2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol?
2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol has a molecular weight of 281.36 g/mol, XLogP of 5.14, 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-prop-2-enylphenol is sourced from PubChem (CID 174351688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).