4-butan-2-yl-2-chloro-5-methylphenol

C11H15ClO — CID 71372422

IUPAC4-butan-2-yl-2-chloro-5-methylphenol
SMILESCCC(C)c1cc(Cl)c(O)cc1C
InChIInChI=1S/C11H15ClO/c1-4-7(2)9-6-10(12)11(13)5-8(9)3/h5-7,13H,4H2,1-3H3
InChIKeyVZOVZPQXOOCPBQ-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.87
Rot. Bonds2

About 4-butan-2-yl-2-chloro-5-methylphenol

4-butan-2-yl-2-chloro-5-methylphenol (PubChem CID 71372422) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 4-butan-2-yl-2-chloro-5-methylphenol.

Molecular Properties

Compound Name4-butan-2-yl-2-chloro-5-methylphenol
PubChem CID71372422
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name4-butan-2-yl-2-chloro-5-methylphenol
SMILESCCC(C)c1cc(Cl)c(O)cc1C
InChIInChI=1S/C11H15ClO/c1-4-7(2)9-6-10(12)11(13)5-8(9)3/h5-7,13H,4H2,1-3H3
InChIKeyVZOVZPQXOOCPBQ-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-methyl-5-propan-2-ylphenol
CID 154092490
2-butan-2-yl-5-tert-butyl-4-chlorophenol
CID 118092252
4-butan-2-yl-3-methylphenol
CID 21413615
2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid
CID 84792430
4-chloro-5-methyl-2-propan-2-ylphenol
CID 160599975
4-butan-2-yl-3-chloro-5-methylphenol;ethane
CID 169182138
5-butan-2-ylbenzene-1,2,4-triol
CID 22895392
4-chloro-5-methyl-2-octan-2-ylphenol
CID 15788408
4-butan-2-yl-2-chloro-3-methylphenol
CID 130032518
4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol
CID 22571327
2-[(1R)-1-aminoethyl]-4-chloro-5-methylphenol;hydrochloride
CID 175670800
3-(4,5-dichloro-2-methylphenyl)butan-1-amine
CID 84795234

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-chloro-5-methylphenol?
The IUPAC name of 4-butan-2-yl-2-chloro-5-methylphenol (CID 71372422) is 4-butan-2-yl-2-chloro-5-methylphenol.
What is the SMILES notation for 4-butan-2-yl-2-chloro-5-methylphenol?
The canonical SMILES for 4-butan-2-yl-2-chloro-5-methylphenol is CCC(C)c1cc(Cl)c(O)cc1C.
What is the InChIKey of 4-butan-2-yl-2-chloro-5-methylphenol?
The InChIKey is VZOVZPQXOOCPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-4-7(2)9-6-10(12)11(13)5-8(9)3/h5-7,13H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-2-chloro-5-methylphenol?
4-butan-2-yl-2-chloro-5-methylphenol has a molecular weight of 198.69 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-chloro-5-methylphenol is sourced from PubChem (CID 71372422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).