1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one

C14H18O3 — CID 103446837

IUPAC1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
SMILESCCC(C)(O)C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C14H18O3/c1-3-14(2,16)13(15)10-5-4-6-12(9-10)17-11-7-8-11/h4-6,9,11,16H,3,7-8H2,1-2H3
InChIKeyIDWQMFCEVJYJKZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.57
Rot. Bonds5

About 1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one

1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one (PubChem CID 103446837) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
PubChem CID103446837
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
SMILESCCC(C)(O)C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C14H18O3/c1-3-14(2,16)13(15)10-5-4-6-12(9-10)17-11-7-8-11/h4-6,9,11,16H,3,7-8H2,1-2H3
InChIKeyIDWQMFCEVJYJKZ-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 114521280
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311606
3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 122141053
3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one
CID 114523846
(3-cyclopropyloxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 115813103
ethyl 2-[3-(oxan-4-yloxy)phenyl]-2-oxoacetate
CID 117445953

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one (CID 103446837) is 1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one is CCC(C)(O)C(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one?
The InChIKey is IDWQMFCEVJYJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-14(2,16)13(15)10-5-4-6-12(9-10)17-11-7-8-11/h4-6,9,11,16H,3,7-8H2,1-2H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one?
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one has a molecular weight of 234.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one is sourced from PubChem (CID 103446837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).