2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone

C18H19ClO2 — CID 43412130

IUPAC2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone
SMILESCC(C)(C)c1ccc(OCC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClO2/c1-18(2,3)13-8-10-14(11-9-13)21-12-17(20)15-6-4-5-7-16(15)19/h4-11H,12H2,1-3H3
InChIKeyMCNKAZLFKPFASK-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.90
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone

2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone (PubChem CID 43412130) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone
PubChem CID43412130
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone
SMILESCC(C)(C)c1ccc(OCC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClO2/c1-18(2,3)13-8-10-14(11-9-13)21-12-17(20)15-6-4-5-7-16(15)19/h4-11H,12H2,1-3H3
InChIKeyMCNKAZLFKPFASK-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide
CID 11710214
1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 43411968
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone
CID 71616954
N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide
CID 23796445
2-(4-tert-butylphenoxy)acetyl chloride
CID 611195
2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone
CID 83140397
2-(4-chlorophenoxy)-1-(2-hydroxyphenyl)ethanone
CID 71616835
4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3286978
3-[2-(2-chlorophenyl)-2-oxoethoxy]-5-methoxybenzonitrile
CID 103568002
[4-[(Z)-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 31087564
N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689044

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone (CID 43412130) is 2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone is CC(C)(C)c1ccc(OCC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone?
The InChIKey is MCNKAZLFKPFASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-18(2,3)13-8-10-14(11-9-13)21-12-17(20)15-6-4-5-7-16(15)19/h4-11H,12H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone?
2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone has a molecular weight of 302.80 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone is sourced from PubChem (CID 43412130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).