5-butyl-4-chloro-2-propan-2-ylphenol

C13H19ClO — CID 118092137

IUPAC5-butyl-4-chloro-2-propan-2-ylphenol
SMILESCCCCc1cc(O)c(C(C)C)cc1Cl
InChIInChI=1S/C13H19ClO/c1-4-5-6-10-7-13(15)11(9(2)3)8-12(10)14/h7-9,15H,4-6H2,1-3H3
InChIKeyITJRTXADTPRIBN-UHFFFAOYSA-N
MW226.75 g/mol
LogP4.51
Rot. Bonds4

About 5-butyl-4-chloro-2-propan-2-ylphenol

5-butyl-4-chloro-2-propan-2-ylphenol (PubChem CID 118092137) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 5-butyl-4-chloro-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-butyl-4-chloro-2-propan-2-ylphenol
PubChem CID118092137
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name5-butyl-4-chloro-2-propan-2-ylphenol
SMILESCCCCc1cc(O)c(C(C)C)cc1Cl
InChIInChI=1S/C13H19ClO/c1-4-5-6-10-7-13(15)11(9(2)3)8-12(10)14/h7-9,15H,4-6H2,1-3H3
InChIKeyITJRTXADTPRIBN-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

4-butyl-6-chlorobenzene-1,3-diol
CID 23195020
4-bromo-2-butan-2-yl-5-butylphenol
CID 118092244
4-chloro-2-methyl-5-propylphenol
CID 69382890
4-chloro-2-ethyl-5-propylphenol
CID 118092079
2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol
CID 117328035
butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol
CID 142271065
4-chloro-6-[1-(5-chloro-2,4-dihydroxyphenyl)butyl]benzene-1,3-diol
CID 22925962
4-hexyl-2-propan-2-ylphenol
CID 154277952
4,5-didecylbenzene-1,2-diol
CID 15667809
4-chloro-5-methyl-2-octan-2-ylphenol
CID 15788408
5-butyl-2,3,4-trimethylphenol
CID 150949737
3-butyl-4-chloro-2-propan-2-ylphenol
CID 118092044

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-chloro-2-propan-2-ylphenol?
The IUPAC name of 5-butyl-4-chloro-2-propan-2-ylphenol (CID 118092137) is 5-butyl-4-chloro-2-propan-2-ylphenol.
What is the SMILES notation for 5-butyl-4-chloro-2-propan-2-ylphenol?
The canonical SMILES for 5-butyl-4-chloro-2-propan-2-ylphenol is CCCCc1cc(O)c(C(C)C)cc1Cl.
What is the InChIKey of 5-butyl-4-chloro-2-propan-2-ylphenol?
The InChIKey is ITJRTXADTPRIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-4-5-6-10-7-13(15)11(9(2)3)8-12(10)14/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 5-butyl-4-chloro-2-propan-2-ylphenol?
5-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 5-butyl-4-chloro-2-propan-2-ylphenol is sourced from PubChem (CID 118092137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).