1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one

C15H20O2 — CID 114520119

IUPAC1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCc1ccc(OC2CC2)cc1
InChIInChI=1S/C15H20O2/c1-11(2)15(16)10-5-12-3-6-13(7-4-12)17-14-8-9-14/h3-4,6-7,11,14H,5,8-10H2,1-2H3
InChIKeyQRXQZBKYHIBZRG-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.39
Rot. Bonds6

About 1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one

1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one (PubChem CID 114520119) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one
PubChem CID114520119
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCc1ccc(OC2CC2)cc1
InChIInChI=1S/C15H20O2/c1-11(2)15(16)10-5-12-3-6-13(7-4-12)17-14-8-9-14/h3-4,6-7,11,14H,5,8-10H2,1-2H3
InChIKeyQRXQZBKYHIBZRG-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-(oxan-4-yloxy)phenyl]butan-2-one
CID 63937035
3-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]propanoic acid
CID 117095179
4-(4-cyclopentyloxyphenyl)butan-2-amine
CID 16782847
3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
CID 68915059
3-(4-cyclopentyloxyphenyl)propanehydrazide
CID 164513639
4-methyl-1-[4-(2-methylpropanoyl)phenyl]pentan-3-one
CID 90089591
4-(4-methyl-3-oxopentyl)benzoic acid
CID 157191269
4-methyl-1-[4-(3-propoxypropyl)phenyl]pentan-3-one
CID 155189144
methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate
CID 117095058
1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea
CID 110775776
[4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229832
3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one
CID 153063185

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one (CID 114520119) is 1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one is CC(C)C(=O)CCc1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one?
The InChIKey is QRXQZBKYHIBZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11(2)15(16)10-5-12-3-6-13(7-4-12)17-14-8-9-14/h3-4,6-7,11,14H,5,8-10H2,1-2H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one?
1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-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-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one is sourced from PubChem (CID 114520119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).