4-(1,2-dinitrosoethyl)phenol

C8H8N2O3 — CID 57148663

IUPAC4-(1,2-dinitrosoethyl)phenol
SMILESO=NCC(N=O)c1ccc(O)cc1
InChIInChI=1S/C8H8N2O3/c11-7-3-1-6(2-4-7)8(10-13)5-9-12/h1-4,8,11H,5H2
InChIKeyXDFVBGDVNNXBOH-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.97
Rot. Bonds4

About 4-(1,2-dinitrosoethyl)phenol

4-(1,2-dinitrosoethyl)phenol (PubChem CID 57148663) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 4-(1,2-dinitrosoethyl)phenol.

Molecular Properties

Compound Name4-(1,2-dinitrosoethyl)phenol
PubChem CID57148663
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name4-(1,2-dinitrosoethyl)phenol
SMILESO=NCC(N=O)c1ccc(O)cc1
InChIInChI=1S/C8H8N2O3/c11-7-3-1-6(2-4-7)8(10-13)5-9-12/h1-4,8,11H,5H2
InChIKeyXDFVBGDVNNXBOH-UHFFFAOYSA-N
XLogP1.97
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-dimethyl-1-nitrosopropyl)phenol
CID 54551031
4-(nitrosomethyl)phenol
CID 54346225
1-methyl-4-(1-nitrosopropyl)benzene
CID 90998450
4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol
CID 57252582
2-[[2,2-bis(4-hydroxyphenyl)acetyl]amino]acetic acid
CID 22106655
bis(benzene-1,4-diol);carbonic acid
CID 68999082
CID 70480259
CID 70480259
(2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid
CID 155461000
N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine
CID 91289866
2-[1-(4-hydroxyphenyl)propylamino]propanoic acid
CID 61499813
4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
CID 147387677
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dinitrosoethyl)phenol?
The IUPAC name of 4-(1,2-dinitrosoethyl)phenol (CID 57148663) is 4-(1,2-dinitrosoethyl)phenol.
What is the SMILES notation for 4-(1,2-dinitrosoethyl)phenol?
The canonical SMILES for 4-(1,2-dinitrosoethyl)phenol is O=NCC(N=O)c1ccc(O)cc1.
What is the InChIKey of 4-(1,2-dinitrosoethyl)phenol?
The InChIKey is XDFVBGDVNNXBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-7-3-1-6(2-4-7)8(10-13)5-9-12/h1-4,8,11H,5H2.
What are the key properties of 4-(1,2-dinitrosoethyl)phenol?
4-(1,2-dinitrosoethyl)phenol has a molecular weight of 180.16 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dinitrosoethyl)phenol is sourced from PubChem (CID 57148663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).