(4-amino-3-methoxy-5-nitrosophenyl)methanol

C8H10N2O3 — CID 163908630

IUPAC(4-amino-3-methoxy-5-nitrosophenyl)methanol
SMILESCOc1cc(CO)cc(N=O)c1N
InChIInChI=1S/C8H10N2O3/c1-13-7-3-5(4-11)2-6(10-12)8(7)9/h2-3,11H,4,9H2,1H3
InChIKeyQQDZRPJZLZWHJX-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.17
Rot. Bonds3

About (4-amino-3-methoxy-5-nitrosophenyl)methanol

(4-amino-3-methoxy-5-nitrosophenyl)methanol (PubChem CID 163908630) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (4-amino-3-methoxy-5-nitrosophenyl)methanol.

Molecular Properties

Compound Name(4-amino-3-methoxy-5-nitrosophenyl)methanol
PubChem CID163908630
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(4-amino-3-methoxy-5-nitrosophenyl)methanol
SMILESCOc1cc(CO)cc(N=O)c1N
InChIInChI=1S/C8H10N2O3/c1-13-7-3-5(4-11)2-6(10-12)8(7)9/h2-3,11H,4,9H2,1H3
InChIKeyQQDZRPJZLZWHJX-UHFFFAOYSA-N
XLogP1.17
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 87277234
CID 87277234
2-(3-methoxy-4-nitrosophenyl)-N-oxoacetamide
CID 174314719
[4-(hydroxymethyl)-2,6-dimethoxyphenyl]boronic acid
CID 54470355
5-bromo-4-methoxy-2-nitrosoaniline
CID 135217869
2-methoxy-6-methyl-4-nitrosoaniline
CID 89377766
(7-methoxy-1-benzothiophen-5-yl)methanol
CID 130050628
[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol
CID 154087943
(3-bromo-4-fluoro-5-methoxyphenyl)methanol
CID 84698241
4-(hydroxymethyl)-2-nitrosophenol
CID 100930248
[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
CID 107742492
(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol
CID 45371684
2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid
CID 91620100

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxy-5-nitrosophenyl)methanol?
The IUPAC name of (4-amino-3-methoxy-5-nitrosophenyl)methanol (CID 163908630) is (4-amino-3-methoxy-5-nitrosophenyl)methanol.
What is the SMILES notation for (4-amino-3-methoxy-5-nitrosophenyl)methanol?
The canonical SMILES for (4-amino-3-methoxy-5-nitrosophenyl)methanol is COc1cc(CO)cc(N=O)c1N.
What is the InChIKey of (4-amino-3-methoxy-5-nitrosophenyl)methanol?
The InChIKey is QQDZRPJZLZWHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-13-7-3-5(4-11)2-6(10-12)8(7)9/h2-3,11H,4,9H2,1H3.
What are the key properties of (4-amino-3-methoxy-5-nitrosophenyl)methanol?
(4-amino-3-methoxy-5-nitrosophenyl)methanol has a molecular weight of 182.18 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxy-5-nitrosophenyl)methanol is sourced from PubChem (CID 163908630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).