3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one

C14H18O3 — CID 102289193

IUPAC3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1C(=O)CC(O)C1CCC1
InChIInChI=1S/C14H18O3/c1-17-14-8-3-2-7-11(14)13(16)9-12(15)10-5-4-6-10/h2-3,7-8,10,12,15H,4-6,9H2,1H3
InChIKeyRWIIDSFDBBGDRC-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.43
Rot. Bonds5

About 3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one

3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one (PubChem CID 102289193) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one
PubChem CID102289193
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1C(=O)CC(O)C1CCC1
InChIInChI=1S/C14H18O3/c1-17-14-8-3-2-7-11(14)13(16)9-12(15)10-5-4-6-10/h2-3,7-8,10,12,15H,4-6,9H2,1H3
InChIKeyRWIIDSFDBBGDRC-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-hydroxy-1-(2-methoxyphenyl)ethanone
CID 103457383
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide
CID 122152186
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278
3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one
CID 116553157
6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
CID 114962813
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011662
(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 97304257
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62034936
(2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione
CID 11738943
2-[cyclopropyl(ethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 43794992

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one (CID 102289193) is 3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one is COc1ccccc1C(=O)CC(O)C1CCC1.
What is the InChIKey of 3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one?
The InChIKey is RWIIDSFDBBGDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-17-14-8-3-2-7-11(14)13(16)9-12(15)10-5-4-6-10/h2-3,7-8,10,12,15H,4-6,9H2,1H3.
What are the key properties of 3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one?
3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one has a molecular weight of 234.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 102289193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).