4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol

C11H16ClNO3 — CID 117366782

IUPAC4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol
SMILESCONCc1c(C)c(Cl)c(C)c(OC)c1O
InChIInChI=1S/C11H16ClNO3/c1-6-8(5-13-16-4)10(14)11(15-3)7(2)9(6)12/h13-14H,5H2,1-4H3
InChIKeyCAEFFACEWHJMAT-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.32
Rot. Bonds4

About 4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol

4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol (PubChem CID 117366782) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol
PubChem CID117366782
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol
SMILESCONCc1c(C)c(Cl)c(C)c(OC)c1O
InChIInChI=1S/C11H16ClNO3/c1-6-8(5-13-16-4)10(14)11(15-3)7(2)9(6)12/h13-14H,5H2,1-4H3
InChIKeyCAEFFACEWHJMAT-UHFFFAOYSA-N
XLogP2.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.32
H-Bond Donors ≤ 52
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

2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol
CID 117361456
3-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 117400395
1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117392757
4-chloro-2-methoxy-3,5-dimethyl-6-(piperazin-1-ylmethyl)phenol
CID 117458546
N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
CID 115259388
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664
6-chloro-2-[(methoxyamino)methyl]-3-methylphenol
CID 117290479
2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
CID 117287079
2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol
CID 117301699
2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid
CID 117406019
4-chloro-2,6-diethyl-3,5-dimethylphenol
CID 175454218
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol?
The IUPAC name of 4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol (CID 117366782) is 4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol is CONCc1c(C)c(Cl)c(C)c(OC)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol?
The InChIKey is CAEFFACEWHJMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-6-8(5-13-16-4)10(14)11(15-3)7(2)9(6)12/h13-14H,5H2,1-4H3.
What are the key properties of 4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol?
4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol has a molecular weight of 245.71 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol is sourced from PubChem (CID 117366782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).