3-butyl-4-chloro-2-propan-2-ylphenol

C13H19ClO — CID 118092044

IUPAC3-butyl-4-chloro-2-propan-2-ylphenol
SMILESCCCCc1c(Cl)ccc(O)c1C(C)C
InChIInChI=1S/C13H19ClO/c1-4-5-6-10-11(14)7-8-12(15)13(10)9(2)3/h7-9,15H,4-6H2,1-3H3
InChIKeyFUESOBCNWDDVOH-UHFFFAOYSA-N
MW226.75 g/mol
LogP4.51
Rot. Bonds4

About 3-butyl-4-chloro-2-propan-2-ylphenol

3-butyl-4-chloro-2-propan-2-ylphenol (PubChem CID 118092044) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 3-butyl-4-chloro-2-propan-2-ylphenol.

Molecular Properties

Compound Name3-butyl-4-chloro-2-propan-2-ylphenol
PubChem CID118092044
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name3-butyl-4-chloro-2-propan-2-ylphenol
SMILESCCCCc1c(Cl)ccc(O)c1C(C)C
InChIInChI=1S/C13H19ClO/c1-4-5-6-10-11(14)7-8-12(15)13(10)9(2)3/h7-9,15H,4-6H2,1-3H3
InChIKeyFUESOBCNWDDVOH-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-chloro-3-nitro-2-propan-2-ylphenol
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4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol
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2,3-dihexylbenzene-1,4-diol
CID 69329716
5-butyl-4-chloro-2-propan-2-ylphenol
CID 118092137
3-chloro-2-octylphenol;2-chlorophenol
CID 90156900
2-butyl-3-methylphenol
CID 174788119
2-(1-aminoethyl)-4-chloro-3-methylphenol
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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-chloro-2-propan-2-ylphenol?
The IUPAC name of 3-butyl-4-chloro-2-propan-2-ylphenol (CID 118092044) is 3-butyl-4-chloro-2-propan-2-ylphenol.
What is the SMILES notation for 3-butyl-4-chloro-2-propan-2-ylphenol?
The canonical SMILES for 3-butyl-4-chloro-2-propan-2-ylphenol is CCCCc1c(Cl)ccc(O)c1C(C)C.
What is the InChIKey of 3-butyl-4-chloro-2-propan-2-ylphenol?
The InChIKey is FUESOBCNWDDVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-4-5-6-10-11(14)7-8-12(15)13(10)9(2)3/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 3-butyl-4-chloro-2-propan-2-ylphenol?
3-butyl-4-chloro-2-propan-2-ylphenol has a molecular weight of 226.75 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-chloro-2-propan-2-ylphenol is sourced from PubChem (CID 118092044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).