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

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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).