4-chloro-2-methyl-6-(methyliminomethyl)phenol

C9H10ClNO — CID 3047330

IUPAC4-chloro-2-methyl-6-(methyliminomethyl)phenol
SMILESC/N=C/c1cc(Cl)cc(C)c1O
InChIInChI=1S/C9H10ClNO/c1-6-3-8(10)4-7(5-11-2)9(6)12/h3-5,12H,1-2H3/b11-5+
InChIKeySUHCAAXMORNNCR-VZUCSPMQSA-N
MW183.64 g/mol
LogP2.40
Rot. Bonds1

About 4-chloro-2-methyl-6-(methyliminomethyl)phenol

4-chloro-2-methyl-6-(methyliminomethyl)phenol (PubChem CID 3047330) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(methyliminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(methyliminomethyl)phenol
PubChem CID3047330
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name4-chloro-2-methyl-6-(methyliminomethyl)phenol
SMILESC/N=C/c1cc(Cl)cc(C)c1O
InChIInChI=1S/C9H10ClNO/c1-6-3-8(10)4-7(5-11-2)9(6)12/h3-5,12H,1-2H3/b11-5+
InChIKeySUHCAAXMORNNCR-VZUCSPMQSA-N
XLogP2.40
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(methyliminomethyl)phenol?
The IUPAC name of 4-chloro-2-methyl-6-(methyliminomethyl)phenol (CID 3047330) is 4-chloro-2-methyl-6-(methyliminomethyl)phenol.
What is the SMILES notation for 4-chloro-2-methyl-6-(methyliminomethyl)phenol?
The canonical SMILES for 4-chloro-2-methyl-6-(methyliminomethyl)phenol is C/N=C/c1cc(Cl)cc(C)c1O.
What is the InChIKey of 4-chloro-2-methyl-6-(methyliminomethyl)phenol?
The InChIKey is SUHCAAXMORNNCR-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6-3-8(10)4-7(5-11-2)9(6)12/h3-5,12H,1-2H3/b11-5+.
What are the key properties of 4-chloro-2-methyl-6-(methyliminomethyl)phenol?
4-chloro-2-methyl-6-(methyliminomethyl)phenol has a molecular weight of 183.64 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(methyliminomethyl)phenol is sourced from PubChem (CID 3047330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).