1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one

C16H24O2 — CID 168997581

IUPAC1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one
SMILESCCCCOc1ccc(C(=O)C(C)C)c(CC)c1
InChIInChI=1S/C16H24O2/c1-5-7-10-18-14-8-9-15(13(6-2)11-14)16(17)12(3)4/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyFTDXZQVKRJHTBS-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.27
Rot. Bonds7

About 1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one

1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one (PubChem CID 168997581) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one
PubChem CID168997581
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one
SMILESCCCCOc1ccc(C(=O)C(C)C)c(CC)c1
InChIInChI=1S/C16H24O2/c1-5-7-10-18-14-8-9-15(13(6-2)11-14)16(17)12(3)4/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyFTDXZQVKRJHTBS-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one
CID 168997277
2-chloro-1-(2-ethyl-4-propoxyphenyl)ethanone
CID 82267367
potassium;1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one;3-[4-(oxomethyl)heptan-4-yl]benzene-4-ide-1-carbonitrile
CID 168997579
bis(4-butoxy-2-hydroxyphenyl)methanone;bis(2-hydroxy-4-propan-2-yloxyphenyl)methanone
CID 162086592
N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide
CID 170731884
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
2-ethyl-4-hexoxy-1-methylbenzene
CID 143189460
1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one
CID 164924416
4-butoxy-2-ethylbenzaldehyde
CID 89039391
4-butoxy-2-fluorobenzoate
CID 7015592
4-decoxy-2-hexoxybenzoic acid
CID 141156533

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one (CID 168997581) is 1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one is CCCCOc1ccc(C(=O)C(C)C)c(CC)c1.
What is the InChIKey of 1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one?
The InChIKey is FTDXZQVKRJHTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-7-10-18-14-8-9-15(13(6-2)11-14)16(17)12(3)4/h8-9,11-12H,5-7,10H2,1-4H3.
What are the key properties of 1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one?
1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one has a molecular weight of 248.37 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 168997581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).