(4-hydroxy-3-methoxyphenyl)methylazanium chloride

C8H12ClNO2 — CID 11745412

IUPAC(4-hydroxy-3-methoxyphenyl)methylazanium chloride
SMILESCOc1cc(C[NH3+])ccc1O.[Cl-]
InChIInChI=1S/C8H11NO2.ClH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H
InChIKeyPUDMGOSXPCMUJZ-UHFFFAOYSA-N
MW189.64 g/mol
LogP-2.85
Rot. Bonds2

About (4-hydroxy-3-methoxyphenyl)methylazanium chloride

(4-hydroxy-3-methoxyphenyl)methylazanium chloride (PubChem CID 11745412) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is (4-hydroxy-3-methoxyphenyl)methylazanium chloride.

Molecular Properties

Compound Name(4-hydroxy-3-methoxyphenyl)methylazanium chloride
PubChem CID11745412
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name(4-hydroxy-3-methoxyphenyl)methylazanium chloride
SMILESCOc1cc(C[NH3+])ccc1O.[Cl-]
InChIInChI=1S/C8H11NO2.ClH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H
InChIKeyPUDMGOSXPCMUJZ-UHFFFAOYSA-N
XLogP-2.85
TPSA57.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 5-2.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(iodomethyl)-2-methoxyphenol
CID 15255516
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
ethane;2-methoxy-4-propylphenol
CID 144852330
CID 69284850
CID 69284850
4-[(4-chlorophenyl)methyl]-2-methoxyphenol
CID 174578571
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methoxyphenyl)methylazanium chloride?
The IUPAC name of (4-hydroxy-3-methoxyphenyl)methylazanium chloride (CID 11745412) is (4-hydroxy-3-methoxyphenyl)methylazanium chloride.
What is the SMILES notation for (4-hydroxy-3-methoxyphenyl)methylazanium chloride?
The canonical SMILES for (4-hydroxy-3-methoxyphenyl)methylazanium chloride is COc1cc(C[NH3+])ccc1O.[Cl-].
What is the InChIKey of (4-hydroxy-3-methoxyphenyl)methylazanium chloride?
The InChIKey is PUDMGOSXPCMUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.ClH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H.
What are the key properties of (4-hydroxy-3-methoxyphenyl)methylazanium chloride?
(4-hydroxy-3-methoxyphenyl)methylazanium chloride has a molecular weight of 189.64 g/mol, XLogP of -2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methoxyphenyl)methylazanium chloride is sourced from PubChem (CID 11745412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).