1-(4-chloro-3-propan-2-ylphenyl)propan-2-one

C12H15ClO — CID 157171758

IUPAC1-(4-chloro-3-propan-2-ylphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(Cl)c(C(C)C)c1
InChIInChI=1S/C12H15ClO/c1-8(2)11-7-10(6-9(3)14)4-5-12(11)13/h4-5,7-8H,6H2,1-3H3
InChIKeyHPYUYHMZIPOZMB-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.59
Rot. Bonds3

About 1-(4-chloro-3-propan-2-ylphenyl)propan-2-one

1-(4-chloro-3-propan-2-ylphenyl)propan-2-one (PubChem CID 157171758) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-(4-chloro-3-propan-2-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-propan-2-ylphenyl)propan-2-one
PubChem CID157171758
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name1-(4-chloro-3-propan-2-ylphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(Cl)c(C(C)C)c1
InChIInChI=1S/C12H15ClO/c1-8(2)11-7-10(6-9(3)14)4-5-12(11)13/h4-5,7-8H,6H2,1-3H3
InChIKeyHPYUYHMZIPOZMB-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-chloro-4-sulfanylphenyl)propan-2-one
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CID 2734097
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-propan-2-ylphenyl)propan-2-one?
The IUPAC name of 1-(4-chloro-3-propan-2-ylphenyl)propan-2-one (CID 157171758) is 1-(4-chloro-3-propan-2-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-3-propan-2-ylphenyl)propan-2-one?
The canonical SMILES for 1-(4-chloro-3-propan-2-ylphenyl)propan-2-one is CC(=O)Cc1ccc(Cl)c(C(C)C)c1.
What is the InChIKey of 1-(4-chloro-3-propan-2-ylphenyl)propan-2-one?
The InChIKey is HPYUYHMZIPOZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-8(2)11-7-10(6-9(3)14)4-5-12(11)13/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 1-(4-chloro-3-propan-2-ylphenyl)propan-2-one?
1-(4-chloro-3-propan-2-ylphenyl)propan-2-one has a molecular weight of 210.70 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-propan-2-ylphenyl)propan-2-one is sourced from PubChem (CID 157171758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).