2-(1-nitrosoethyl)phenol

C8H9NO2 — CID 54318967

IUPAC2-(1-nitrosoethyl)phenol
SMILESCC(N=O)c1ccccc1O
InChIInChI=1S/C8H9NO2/c1-6(9-11)7-4-2-3-5-8(7)10/h2-6,10H,1H3
InChIKeySQGBVUJTAHWRCR-UHFFFAOYSA-N
MW151.16 g/mol
LogP2.22
Rot. Bonds2

About 2-(1-nitrosoethyl)phenol

2-(1-nitrosoethyl)phenol (PubChem CID 54318967) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(1-nitrosoethyl)phenol.

Molecular Properties

Compound Name2-(1-nitrosoethyl)phenol
PubChem CID54318967
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-(1-nitrosoethyl)phenol
SMILESCC(N=O)c1ccccc1O
InChIInChI=1S/C8H9NO2/c1-6(9-11)7-4-2-3-5-8(7)10/h2-6,10H,1H3
InChIKeySQGBVUJTAHWRCR-UHFFFAOYSA-N
XLogP2.22
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid
CID 61499506
lithium;hydride;2-propan-2-ylphenol
CID 175276368
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
2-[1-(2-hydroxyphenyl)propylamino]propanamide
CID 43545377
2-(difluoromethyl)phenol
CID 21386914
2-butan-2-ylphenol;formaldehyde
CID 66765994
1-(2-hydroxyphenyl)ethylphosphonic acid
CID 165144464
2-[1-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 141037281
2-[(1S)-1-amino-2-methylpropyl]phenol
CID 14939349
2-(1-fluoropropan-2-yl)phenol
CID 19048051
N,N-dimethyl-N',N'-bis[2-(1-nitrosoethyl)phenyl]propanediamide
CID 91043530
2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid
CID 83820422

Frequently Asked Questions

What is the IUPAC name of 2-(1-nitrosoethyl)phenol?
The IUPAC name of 2-(1-nitrosoethyl)phenol (CID 54318967) is 2-(1-nitrosoethyl)phenol.
What is the SMILES notation for 2-(1-nitrosoethyl)phenol?
The canonical SMILES for 2-(1-nitrosoethyl)phenol is CC(N=O)c1ccccc1O.
What is the InChIKey of 2-(1-nitrosoethyl)phenol?
The InChIKey is SQGBVUJTAHWRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6(9-11)7-4-2-3-5-8(7)10/h2-6,10H,1H3.
What are the key properties of 2-(1-nitrosoethyl)phenol?
2-(1-nitrosoethyl)phenol has a molecular weight of 151.16 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nitrosoethyl)phenol is sourced from PubChem (CID 54318967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).