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

C12H16O2 — CID 919332

IUPAC1-(4-propan-2-yloxyphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C12H16O2/c1-9(2)14-12-6-4-11(5-7-12)8-10(3)13/h4-7,9H,8H2,1-3H3
InChIKeyHBMPUJYWIFQALP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.61
Rot. Bonds4

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

1-(4-propan-2-yloxyphenyl)propan-2-one (PubChem CID 919332) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)propan-2-one
PubChem CID919332
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(4-propan-2-yloxyphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C12H16O2/c1-9(2)14-12-6-4-11(5-7-12)8-10(3)13/h4-7,9H,8H2,1-3H3
InChIKeyHBMPUJYWIFQALP-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)propan-2-one?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)propan-2-one (CID 919332) is 1-(4-propan-2-yloxyphenyl)propan-2-one.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)propan-2-one?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)propan-2-one is CC(=O)Cc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)propan-2-one?
The InChIKey is HBMPUJYWIFQALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)14-12-6-4-11(5-7-12)8-10(3)13/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)propan-2-one?
1-(4-propan-2-yloxyphenyl)propan-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)propan-2-one is sourced from PubChem (CID 919332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).