1-(2-chloro-5-propan-2-ylphenyl)ethanone

C11H13ClO — CID 83988508

IUPAC1-(2-chloro-5-propan-2-ylphenyl)ethanone
SMILESCC(=O)c1cc(C(C)C)ccc1Cl
InChIInChI=1S/C11H13ClO/c1-7(2)9-4-5-11(12)10(6-9)8(3)13/h4-7H,1-3H3
InChIKeyCDULPMNIRQWHPO-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.67
Rot. Bonds2

About 1-(2-chloro-5-propan-2-ylphenyl)ethanone

1-(2-chloro-5-propan-2-ylphenyl)ethanone (PubChem CID 83988508) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 1-(2-chloro-5-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-5-propan-2-ylphenyl)ethanone
PubChem CID83988508
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name1-(2-chloro-5-propan-2-ylphenyl)ethanone
SMILESCC(=O)c1cc(C(C)C)ccc1Cl
InChIInChI=1S/C11H13ClO/c1-7(2)9-4-5-11(12)10(6-9)8(3)13/h4-7H,1-3H3
InChIKeyCDULPMNIRQWHPO-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone
CID 82771006
3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropanoic acid
CID 170824279
2-acetyl-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride
CID 88820516
1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one
CID 83988511
1-(2-chloro-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 163264575
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanone
CID 83892755
2-chloro-5-propan-2-ylphenol
CID 59596487
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
1-[5-(4-amino-1,2-dihydroxybutyl)-2-chlorophenyl]ethanone
CID 171881579
1-[5-(4-bromo-1,2-dihydroxybutyl)-2-chlorophenyl]ethanone
CID 171892331
1-[2-chloro-5-(1,2-dihydroxy-4-sulfanylbutyl)phenyl]ethanone
CID 171874414
(2-acetyl-4-propan-2-ylphenyl) 2-hydroxypropanoate
CID 90191595

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(2-chloro-5-propan-2-ylphenyl)ethanone (CID 83988508) is 1-(2-chloro-5-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-5-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-5-propan-2-ylphenyl)ethanone is CC(=O)c1cc(C(C)C)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-propan-2-ylphenyl)ethanone?
The InChIKey is CDULPMNIRQWHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-7(2)9-4-5-11(12)10(6-9)8(3)13/h4-7H,1-3H3.
What are the key properties of 1-(2-chloro-5-propan-2-ylphenyl)ethanone?
1-(2-chloro-5-propan-2-ylphenyl)ethanone has a molecular weight of 196.68 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 83988508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).