1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one

C17H26O2 — CID 168997277

IUPAC1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one
SMILESCCc1cc(OCCC(C)C)ccc1C(=O)C(C)C
InChIInChI=1S/C17H26O2/c1-6-14-11-15(19-10-9-12(2)3)7-8-16(14)17(18)13(4)5/h7-8,11-13H,6,9-10H2,1-5H3
InChIKeyGUGADSAFCLNGHC-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.51
Rot. Bonds7

About 1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one

1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one (PubChem CID 168997277) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one
PubChem CID168997277
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one
SMILESCCc1cc(OCCC(C)C)ccc1C(=O)C(C)C
InChIInChI=1S/C17H26O2/c1-6-14-11-15(19-10-9-12(2)3)7-8-16(14)17(18)13(4)5/h7-8,11-13H,6,9-10H2,1-5H3
InChIKeyGUGADSAFCLNGHC-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one
CID 168997581
2-ethyl-4-(3-methylbutoxy)benzaldehyde
CID 175816667
1-[2-amino-5-(3-methylbutoxy)phenyl]ethanone
CID 104613220
2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide
CID 168997178
ethyl 2-amino-5-(3-methylbutoxy)benzoate
CID 61307572
2-(bromomethyl)-1,4-bis(3-methylbutoxy)benzene
CID 59245479
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
2-chloro-1-(2-ethyl-4-propoxyphenyl)ethanone
CID 82267367
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
N-[3-ethyl-4-(2-methylpropanoyl)phenyl]-3-(2-methoxyethoxy)benzamide
CID 170731884
2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene
CID 168997622
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one (CID 168997277) is 1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one is CCc1cc(OCCC(C)C)ccc1C(=O)C(C)C.
What is the InChIKey of 1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one?
The InChIKey is GUGADSAFCLNGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-14-11-15(19-10-9-12(2)3)7-8-16(14)17(18)13(4)5/h7-8,11-13H,6,9-10H2,1-5H3.
What are the key properties of 1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one?
1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one has a molecular weight of 262.39 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 168997277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).