3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol

C8H10ClNO3 — CID 84777573

IUPAC3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNO)c1Cl
InChIInChI=1S/C8H10ClNO3/c1-13-7-3-2-6(11)5(4-10-12)8(7)9/h2-3,10-12H,4H2,1H3
InChIKeyLKEGQEUGENWFBL-UHFFFAOYSA-N
MW203.62 g/mol
LogP1.53
Rot. Bonds3

About 3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol

3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol (PubChem CID 84777573) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol
PubChem CID84777573
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNO)c1Cl
InChIInChI=1S/C8H10ClNO3/c1-13-7-3-2-6(11)5(4-10-12)8(7)9/h2-3,10-12H,4H2,1H3
InChIKeyLKEGQEUGENWFBL-UHFFFAOYSA-N
XLogP1.53
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-hydroxy-3-methoxyphenyl)propan-2-one
CID 84783610
N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
CID 117280945
N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine
CID 117366725
2-chloro-3-(chloromethyl)-1-methoxy-4-methylbenzene
CID 171008417
N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine
CID 117281308
N-[(2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84769642
2-[(hydroxyamino)methyl]benzene-1,3-diol
CID 117276038
N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 84791445
5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol
CID 117310285
2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol
CID 84766359
N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine
CID 82551134
3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol
CID 117305992

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol?
The IUPAC name of 3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol (CID 84777573) is 3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol.
What is the SMILES notation for 3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol?
The canonical SMILES for 3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol is COc1ccc(O)c(CNO)c1Cl.
What is the InChIKey of 3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol?
The InChIKey is LKEGQEUGENWFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3/c1-13-7-3-2-6(11)5(4-10-12)8(7)9/h2-3,10-12H,4H2,1H3.
What are the key properties of 3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol?
3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol has a molecular weight of 203.62 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol is sourced from PubChem (CID 84777573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).