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

C12H15ClO2 — CID 82494710

IUPAC1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-8(2)15-12-5-4-10(6-9(3)14)7-11(12)13/h4-5,7-8H,6H2,1-3H3
InChIKeyBARZUTNXJWVFPF-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.26
Rot. Bonds4

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

1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one (PubChem CID 82494710) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
PubChem CID82494710
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-8(2)15-12-5-4-10(6-9(3)14)7-11(12)13/h4-5,7-8H,6H2,1-3H3
InChIKeyBARZUTNXJWVFPF-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide
CID 95474116
1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one
CID 83899914
[2-chloro-4-(2-oxopropyl)phenyl] trifluoromethanesulfonate
CID 89027463
[(3-chloro-4-propan-2-yloxyphenyl)methyl-diethylazaniumyl]methanethioate
CID 22753785
1-(4-chloro-3-propan-2-ylphenyl)propan-2-one
CID 157171758
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
(2S)-1-[(3-chloro-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996926
2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 110190887
2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine
CID 45052899
1-(3-chloro-4-sulfanylphenyl)propan-2-one
CID 118830154

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one?
The IUPAC name of 1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one (CID 82494710) is 1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one?
The canonical SMILES for 1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one is CC(=O)Cc1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one?
The InChIKey is BARZUTNXJWVFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8(2)15-12-5-4-10(6-9(3)14)7-11(12)13/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one?
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one has a molecular weight of 226.70 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one is sourced from PubChem (CID 82494710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).