1-(2-tert-butyl-5-chlorophenyl)ethanone

C12H15ClO — CID 84781393

IUPAC1-(2-tert-butyl-5-chlorophenyl)ethanone
SMILESCC(=O)c1cc(Cl)ccc1C(C)(C)C
InChIInChI=1S/C12H15ClO/c1-8(14)10-7-9(13)5-6-11(10)12(2,3)4/h5-7H,1-4H3
InChIKeySTHBERFDEBRLME-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.84
Rot. Bonds1

About 1-(2-tert-butyl-5-chlorophenyl)ethanone

1-(2-tert-butyl-5-chlorophenyl)ethanone (PubChem CID 84781393) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-(2-tert-butyl-5-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-tert-butyl-5-chlorophenyl)ethanone
PubChem CID84781393
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name1-(2-tert-butyl-5-chlorophenyl)ethanone
SMILESCC(=O)c1cc(Cl)ccc1C(C)(C)C
InChIInChI=1S/C12H15ClO/c1-8(14)10-7-9(13)5-6-11(10)12(2,3)4/h5-7H,1-4H3
InChIKeySTHBERFDEBRLME-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-tert-butyl-2,5-dichlorophenyl)ethanone
CID 170078691
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
2-acetyl-5-chlorobenzoic acid
CID 11229391
1-(3-tert-butyl-5-chloro-2-methoxyphenyl)ethanone
CID 117354240
2-acetyl-4-chlorobenzamide
CID 157282795
1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone
CID 62072537
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544982
1-[2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-5-chlorophenyl]ethanone
CID 68547230
2-tert-butyl-5-chlorophenol;titanium;dihydrochloride
CID 174423474
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
2-amino-3-tert-butyl-5-chlorobenzoic acid
CID 142738161
1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone
CID 82264831

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5-chlorophenyl)ethanone?
The IUPAC name of 1-(2-tert-butyl-5-chlorophenyl)ethanone (CID 84781393) is 1-(2-tert-butyl-5-chlorophenyl)ethanone.
What is the SMILES notation for 1-(2-tert-butyl-5-chlorophenyl)ethanone?
The canonical SMILES for 1-(2-tert-butyl-5-chlorophenyl)ethanone is CC(=O)c1cc(Cl)ccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-5-chlorophenyl)ethanone?
The InChIKey is STHBERFDEBRLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-8(14)10-7-9(13)5-6-11(10)12(2,3)4/h5-7H,1-4H3.
What are the key properties of 1-(2-tert-butyl-5-chlorophenyl)ethanone?
1-(2-tert-butyl-5-chlorophenyl)ethanone has a molecular weight of 210.70 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5-chlorophenyl)ethanone is sourced from PubChem (CID 84781393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).