2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone

C18H19ClO2 — CID 43413875

IUPAC2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone
SMILESCCC(C)c1ccccc1OCC(=O)c1ccccc1Cl
InChIInChI=1S/C18H19ClO2/c1-3-13(2)14-8-5-7-11-18(14)21-12-17(20)15-9-4-6-10-16(15)19/h4-11,13H,3,12H2,1-2H3
InChIKeyLQWBVHNLUQQJTG-UHFFFAOYSA-N
MW302.80 g/mol
LogP5.12
Rot. Bonds6

About 2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone

2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone (PubChem CID 43413875) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone
PubChem CID43413875
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone
SMILESCCC(C)c1ccccc1OCC(=O)c1ccccc1Cl
InChIInChI=1S/C18H19ClO2/c1-3-13(2)14-8-5-7-11-18(14)21-12-17(20)15-9-4-6-10-16(15)19/h4-11,13H,3,12H2,1-2H3
InChIKeyLQWBVHNLUQQJTG-UHFFFAOYSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.80
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone
CID 43413886
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413856
(E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 2062687
1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413870
3-(2-butan-2-ylphenoxy)prop-1-en-2-yl-trifluoroboranuide
CID 106746598
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
N-(3-amino-4-chlorophenyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 46735825
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate
CID 103484893
1-(2-chlorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712924
(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179422

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone (CID 43413875) is 2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone is CCC(C)c1ccccc1OCC(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone?
The InChIKey is LQWBVHNLUQQJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-3-13(2)14-8-5-7-11-18(14)21-12-17(20)15-9-4-6-10-16(15)19/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone?
2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone has a molecular weight of 302.80 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone is sourced from PubChem (CID 43413875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).