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

C15H20O2 — CID 64505005

IUPAC1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccc(CCC(=O)C2CC2)cc1
InChIInChI=1S/C15H20O2/c1-11(2)17-14-8-3-12(4-9-14)5-10-15(16)13-6-7-13/h3-4,8-9,11,13H,5-7,10H2,1-2H3
InChIKeyCSRLFHKTNSCWNC-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.39
Rot. Bonds6

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

1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one (PubChem CID 64505005) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one
PubChem CID64505005
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccc(CCC(=O)C2CC2)cc1
InChIInChI=1S/C15H20O2/c1-11(2)17-14-8-3-12(4-9-14)5-10-15(16)13-6-7-13/h3-4,8-9,11,13H,5-7,10H2,1-2H3
InChIKeyCSRLFHKTNSCWNC-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
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N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
3-(4-aminophenyl)-1-cyclopropylpropan-1-one
CID 115605902
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 173014561
3-(4-propan-2-yloxyphenyl)propanethioamide
CID 83932816
N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide
CID 126828920
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one (CID 64505005) is 1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one is CC(C)Oc1ccc(CCC(=O)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is CSRLFHKTNSCWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11(2)17-14-8-3-12(4-9-14)5-10-15(16)13-6-7-13/h3-4,8-9,11,13H,5-7,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one?
1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 64505005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).