2-[(2,6-dichlorophenyl)methylidene]butan-1-ol

C11H12Cl2O — CID 79335321

IUPAC2-[(2,6-dichlorophenyl)methylidene]butan-1-ol
SMILESCCC(=Cc1c(Cl)cccc1Cl)CO
InChIInChI=1S/C11H12Cl2O/c1-2-8(7-14)6-9-10(12)4-3-5-11(9)13/h3-6,14H,2,7H2,1H3
InChIKeyOWYYASXAWSFMMN-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.78
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methylidene]butan-1-ol

2-[(2,6-dichlorophenyl)methylidene]butan-1-ol (PubChem CID 79335321) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylidene]butan-1-ol.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylidene]butan-1-ol
PubChem CID79335321
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name2-[(2,6-dichlorophenyl)methylidene]butan-1-ol
SMILESCCC(=Cc1c(Cl)cccc1Cl)CO
InChIInChI=1S/C11H12Cl2O/c1-2-8(7-14)6-9-10(12)4-3-5-11(9)13/h3-6,14H,2,7H2,1H3
InChIKeyOWYYASXAWSFMMN-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2,6-dichlorophenyl)methylidene]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,3-dichlorophenyl)methylidene]butan-1-ol
CID 79334969
N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine
CID 79329244
3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol
CID 79334453
(2E)-2-[(2,6-dichlorophenyl)methylidene]butanoic acid
CID 90018909
(2Z)-2-[(2,3,6-trichlorophenyl)methylidene]butan-1-amine
CID 79322402
2-(furan-3-ylmethylidene)butan-1-ol
CID 79334413
2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol
CID 79334417
3-(2,6-dichlorophenyl)-2-methylprop-2-ene-1-sulfonic acid
CID 173463121
2-[(2,3-dichlorophenyl)methylidene]-N-methylbutan-1-amine
CID 79328932
(2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol
CID 142454108
2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine
CID 79330194
1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene
CID 134266599

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylidene]butan-1-ol?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylidene]butan-1-ol (CID 79335321) is 2-[(2,6-dichlorophenyl)methylidene]butan-1-ol.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylidene]butan-1-ol?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylidene]butan-1-ol is CCC(=Cc1c(Cl)cccc1Cl)CO.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylidene]butan-1-ol?
The InChIKey is OWYYASXAWSFMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-2-8(7-14)6-9-10(12)4-3-5-11(9)13/h3-6,14H,2,7H2,1H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methylidene]butan-1-ol?
2-[(2,6-dichlorophenyl)methylidene]butan-1-ol has a molecular weight of 231.12 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylidene]butan-1-ol is sourced from PubChem (CID 79335321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).