5-tert-butyl-4-chloro-2-ethylphenol

C12H17ClO — CID 118092257

IUPAC5-tert-butyl-4-chloro-2-ethylphenol
SMILESCCc1cc(Cl)c(C(C)(C)C)cc1O
InChIInChI=1S/C12H17ClO/c1-5-8-6-10(13)9(7-11(8)14)12(2,3)4/h6-7,14H,5H2,1-4H3
InChIKeyPNXCDCPQZBEXJC-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.91
Rot. Bonds1

About 5-tert-butyl-4-chloro-2-ethylphenol

5-tert-butyl-4-chloro-2-ethylphenol (PubChem CID 118092257) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 5-tert-butyl-4-chloro-2-ethylphenol.

Molecular Properties

Compound Name5-tert-butyl-4-chloro-2-ethylphenol
PubChem CID118092257
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name5-tert-butyl-4-chloro-2-ethylphenol
SMILESCCc1cc(Cl)c(C(C)(C)C)cc1O
InChIInChI=1S/C12H17ClO/c1-5-8-6-10(13)9(7-11(8)14)12(2,3)4/h6-7,14H,5H2,1-4H3
InChIKeyPNXCDCPQZBEXJC-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Chlorophene
CID 8425
4-Chloro-3-methylphenol
CID 1732
4-Chloro-3,5-dimethylphenol
CID 2723
4-Chloro-2-methylphenol
CID 14855
6-tert-Butyl-m-cresol
CID 6937
Chlorothymol
CID 6982
Chlorindanol
CID 8961
2,5-Di-tert-butylphenol
CID 79983
4-Chloro-2-methyl-5-(1-methylethyl)phenol
CID 21874
Dowicide 9
CID 61594
4-Chloro-2-phenylphenol
CID 11827
4-Chloro-2,5-xylenol
CID 70756

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-chloro-2-ethylphenol?
The IUPAC name of 5-tert-butyl-4-chloro-2-ethylphenol (CID 118092257) is 5-tert-butyl-4-chloro-2-ethylphenol.
What is the SMILES notation for 5-tert-butyl-4-chloro-2-ethylphenol?
The canonical SMILES for 5-tert-butyl-4-chloro-2-ethylphenol is CCc1cc(Cl)c(C(C)(C)C)cc1O.
What is the InChIKey of 5-tert-butyl-4-chloro-2-ethylphenol?
The InChIKey is PNXCDCPQZBEXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-5-8-6-10(13)9(7-11(8)14)12(2,3)4/h6-7,14H,5H2,1-4H3.
What are the key properties of 5-tert-butyl-4-chloro-2-ethylphenol?
5-tert-butyl-4-chloro-2-ethylphenol has a molecular weight of 212.72 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-chloro-2-ethylphenol is sourced from PubChem (CID 118092257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).