1-(4,5-dimethoxy-2-nitrosophenyl)ethanol

C10H13NO4 — CID 88927442

IUPAC1-(4,5-dimethoxy-2-nitrosophenyl)ethanol
SMILESCOc1cc(N=O)c(C(C)O)cc1OC
InChIInChI=1S/C10H13NO4/c1-6(12)7-4-9(14-2)10(15-3)5-8(7)11-13/h4-6,12H,1-3H3
InChIKeyYECKCVGQWVVLCT-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.15
Rot. Bonds4

About 1-(4,5-dimethoxy-2-nitrosophenyl)ethanol

1-(4,5-dimethoxy-2-nitrosophenyl)ethanol (PubChem CID 88927442) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-nitrosophenyl)ethanol.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-nitrosophenyl)ethanol
PubChem CID88927442
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1-(4,5-dimethoxy-2-nitrosophenyl)ethanol
SMILESCOc1cc(N=O)c(C(C)O)cc1OC
InChIInChI=1S/C10H13NO4/c1-6(12)7-4-9(14-2)10(15-3)5-8(7)11-13/h4-6,12H,1-3H3
InChIKeyYECKCVGQWVVLCT-UHFFFAOYSA-N
XLogP2.15
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916122
(1S)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916121
1-[N-(1-hydroxyethyl)-3-methoxy-4-nitrosoanilino]ethanol;hydrochloride
CID 90421396
1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol
CID 84705859
1-(2,4-dimethoxy-5-methylphenyl)ethanol
CID 84666953
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol
CID 84679217
2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 162953882
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-nitrosophenyl)ethanol?
The IUPAC name of 1-(4,5-dimethoxy-2-nitrosophenyl)ethanol (CID 88927442) is 1-(4,5-dimethoxy-2-nitrosophenyl)ethanol.
What is the SMILES notation for 1-(4,5-dimethoxy-2-nitrosophenyl)ethanol?
The canonical SMILES for 1-(4,5-dimethoxy-2-nitrosophenyl)ethanol is COc1cc(N=O)c(C(C)O)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-nitrosophenyl)ethanol?
The InChIKey is YECKCVGQWVVLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6(12)7-4-9(14-2)10(15-3)5-8(7)11-13/h4-6,12H,1-3H3.
What are the key properties of 1-(4,5-dimethoxy-2-nitrosophenyl)ethanol?
1-(4,5-dimethoxy-2-nitrosophenyl)ethanol has a molecular weight of 211.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-nitrosophenyl)ethanol is sourced from PubChem (CID 88927442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).