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

C14H18O2 — CID 114521136

IUPAC1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C14H18O2/c1-3-10(2)14(15)11-5-4-6-13(9-11)16-12-7-8-12/h4-6,9-10,12H,3,7-8H2,1-2H3
InChIKeyKOQIQTPZKTYJDB-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.46
Rot. Bonds5

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

1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one (PubChem CID 114521136) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
PubChem CID114521136
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C14H18O2/c1-3-10(2)14(15)11-5-4-6-13(9-11)16-12-7-8-12/h4-6,9-10,12H,3,7-8H2,1-2H3
InChIKeyKOQIQTPZKTYJDB-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114518839
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
CID 114523725
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311606
2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one
CID 114523852
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446837
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847
2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
CID 114523838
2-methyl-1-(3-propoxyphenyl)butan-1-one
CID 115788060
3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one
CID 114523846
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one (CID 114521136) is 1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one is CCC(C)C(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one?
The InChIKey is KOQIQTPZKTYJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-10(2)14(15)11-5-4-6-13(9-11)16-12-7-8-12/h4-6,9-10,12H,3,7-8H2,1-2H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one?
1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 114521136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).