4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol

C15H16Cl2O2 — CID 161001401

IUPAC4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol
SMILESCc1cc(Cl)cc(C)c1O.Cc1cc(Cl)ccc1O
InChIInChI=1S/C8H9ClO.C7H7ClO/c1-5-3-7(9)4-6(2)8(5)10;1-5-4-6(8)2-3-7(5)9/h3-4,10H,1-2H3;2-4,9H,1H3
InChIKeyTVXSXFLSQGJPIT-UHFFFAOYSA-N
MW299.20 g/mol
LogP5.02
Rot. Bonds

About 4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol

4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol (PubChem CID 161001401) has the molecular formula C15H16Cl2O2 and a molecular weight of 299.20 g/mol. Its IUPAC name is 4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol.

Molecular Properties

Compound Name4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol
PubChem CID161001401
Molecular FormulaC15H16Cl2O2
Molecular Weight299.20 g/mol
Exact Mass298.05
IUPAC Name4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol
SMILESCc1cc(Cl)cc(C)c1O.Cc1cc(Cl)ccc1O
InChIInChI=1S/C8H9ClO.C7H7ClO/c1-5-3-7(9)4-6(2)8(5)10;1-5-4-6(8)2-3-7(5)9/h3-4,10H,1-2H3;2-4,9H,1H3
InChIKeyTVXSXFLSQGJPIT-UHFFFAOYSA-N
XLogP5.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.20
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol?
The IUPAC name of 4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol (CID 161001401) is 4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol.
What is the SMILES notation for 4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol?
The canonical SMILES for 4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol is Cc1cc(Cl)cc(C)c1O.Cc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol?
The InChIKey is TVXSXFLSQGJPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO.C7H7ClO/c1-5-3-7(9)4-6(2)8(5)10;1-5-4-6(8)2-3-7(5)9/h3-4,10H,1-2H3;2-4,9H,1H3.
What are the key properties of 4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol?
4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol has a molecular weight of 299.20 g/mol, XLogP of 5.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol is sourced from PubChem (CID 161001401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).