2-(chloroamino)-3,5-dimethoxyphenol

C8H10ClNO3 — CID 21018373

IUPAC2-(chloroamino)-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(NCl)c(OC)c1
InChIInChI=1S/C8H10ClNO3/c1-12-5-3-6(11)8(10-9)7(4-5)13-2/h3-4,10-11H,1-2H3
InChIKeySNWTXDKGAJRGAH-UHFFFAOYSA-N
MW203.62 g/mol
LogP1.98
Rot. Bonds3

About 2-(chloroamino)-3,5-dimethoxyphenol

2-(chloroamino)-3,5-dimethoxyphenol (PubChem CID 21018373) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 2-(chloroamino)-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2-(chloroamino)-3,5-dimethoxyphenol
PubChem CID21018373
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name2-(chloroamino)-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(NCl)c(OC)c1
InChIInChI=1S/C8H10ClNO3/c1-12-5-3-6(11)8(10-9)7(4-5)13-2/h3-4,10-11H,1-2H3
InChIKeySNWTXDKGAJRGAH-UHFFFAOYSA-N
XLogP1.98
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone
CID 166935705
2-chloro-5-methoxy-3-methylphenol
CID 144544904
2-[4,6-bis(2-hydroxy-4,6-dimethoxyphenyl)-1,3,5-triazin-2-yl]-3,5-dimethoxyphenol
CID 136758978
(2,4,6-trimethoxyphenyl)carbamothioic S-acid
CID 115169717
chloro-(2,4,6-trimethoxyphenyl)phosphane
CID 151134110
2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid
CID 82499633
4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 44611838
2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol
CID 169478473
3,5-dimethoxy-2-nitrophenol
CID 10965507
1-(2,4,6-trimethoxyanilino)propan-2-one
CID 115234477
2-(2,4-dimethoxyphenyl)-3,5-dimethoxyphenol
CID 165177874
3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol
CID 170909713

Frequently Asked Questions

What is the IUPAC name of 2-(chloroamino)-3,5-dimethoxyphenol?
The IUPAC name of 2-(chloroamino)-3,5-dimethoxyphenol (CID 21018373) is 2-(chloroamino)-3,5-dimethoxyphenol.
What is the SMILES notation for 2-(chloroamino)-3,5-dimethoxyphenol?
The canonical SMILES for 2-(chloroamino)-3,5-dimethoxyphenol is COc1cc(O)c(NCl)c(OC)c1.
What is the InChIKey of 2-(chloroamino)-3,5-dimethoxyphenol?
The InChIKey is SNWTXDKGAJRGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3/c1-12-5-3-6(11)8(10-9)7(4-5)13-2/h3-4,10-11H,1-2H3.
What are the key properties of 2-(chloroamino)-3,5-dimethoxyphenol?
2-(chloroamino)-3,5-dimethoxyphenol has a molecular weight of 203.62 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloroamino)-3,5-dimethoxyphenol is sourced from PubChem (CID 21018373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).