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

C16H22O3 — CID 114521268

IUPAC1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
SMILESCCCC(OCC)C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H22O3/c1-3-6-15(18-4-2)16(17)12-7-5-8-14(11-12)19-13-9-10-13/h5,7-8,11,13,15H,3-4,6,9-10H2,1-2H3
InChIKeyHLZKKTKKJZEGKS-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.62
Rot. Bonds8

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

1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one (PubChem CID 114521268) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
PubChem CID114521268
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
SMILESCCCC(OCC)C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H22O3/c1-3-6-15(18-4-2)16(17)12-7-5-8-14(11-12)19-13-9-10-13/h5,7-8,11,13,15H,3-4,6,9-10H2,1-2H3
InChIKeyHLZKKTKKJZEGKS-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one
CID 116707745
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
CID 114523725
2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
CID 114523838
2-methoxy-1-(3-methoxyphenyl)pentan-1-one
CID 116708051
2-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 116707614
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
3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one
CID 114523846
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446837
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one (CID 114521268) is 1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one is CCCC(OCC)C(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one?
The InChIKey is HLZKKTKKJZEGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-6-15(18-4-2)16(17)12-7-5-8-14(11-12)19-13-9-10-13/h5,7-8,11,13,15H,3-4,6,9-10H2,1-2H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one?
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one has a molecular weight of 262.35 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one is sourced from PubChem (CID 114521268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).