3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol

C10H12N2O4 — CID 144899202

IUPAC3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol
SMILESCOc1cc(C(CCO)N=O)ccc1N=O
InChIInChI=1S/C10H12N2O4/c1-16-10-6-7(2-3-9(10)12-15)8(11-14)4-5-13/h2-3,6,8,13H,4-5H2,1H3
InChIKeyFMGITLYZGBLSNL-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.28
Rot. Bonds6

About 3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol

3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol (PubChem CID 144899202) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol.

Molecular Properties

Compound Name3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol
PubChem CID144899202
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol
SMILESCOc1cc(C(CCO)N=O)ccc1N=O
InChIInChI=1S/C10H12N2O4/c1-16-10-6-7(2-3-9(10)12-15)8(11-14)4-5-13/h2-3,6,8,13H,4-5H2,1H3
InChIKeyFMGITLYZGBLSNL-UHFFFAOYSA-N
XLogP2.28
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)pentane-1,5-diol
CID 15691833
3-(3-methoxy-4-methylphenyl)butan-1-ol
CID 72978410
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
1-[N-(1-hydroxyethyl)-3-methoxy-4-nitrosoanilino]ethanol;hydrochloride
CID 90421396
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
(1S,2R)-1,2-bis(4-hydroxy-3-methoxyphenyl)butane-1,4-diol
CID 10664426
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171225064
(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171205490
4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol
CID 113495587
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol?
The IUPAC name of 3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol (CID 144899202) is 3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol.
What is the SMILES notation for 3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol?
The canonical SMILES for 3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol is COc1cc(C(CCO)N=O)ccc1N=O.
What is the InChIKey of 3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol?
The InChIKey is FMGITLYZGBLSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-16-10-6-7(2-3-9(10)12-15)8(11-14)4-5-13/h2-3,6,8,13H,4-5H2,1H3.
What are the key properties of 3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol?
3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol has a molecular weight of 224.22 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-nitrosophenyl)-3-nitrosopropan-1-ol is sourced from PubChem (CID 144899202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).