1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one

C17H26O2 — CID 55196017

IUPAC1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)c1cc(C)ccc1OCC
InChIInChI=1S/C17H26O2/c1-5-8-9-14(6-2)17(18)15-12-13(4)10-11-16(15)19-7-3/h10-12,14H,5-9H2,1-4H3
InChIKeyVSJBYCUQCFYBKV-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.79
Rot. Bonds8

About 1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one

1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one (PubChem CID 55196017) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one
PubChem CID55196017
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)c1cc(C)ccc1OCC
InChIInChI=1S/C17H26O2/c1-5-8-9-14(6-2)17(18)15-12-13(4)10-11-16(15)19-7-3/h10-12,14H,5-9H2,1-4H3
InChIKeyVSJBYCUQCFYBKV-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-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

2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one
CID 43339711
1-(2-ethoxy-5-methylphenyl)nonan-1-one
CID 65447426
3-bromo-4-(2-ethoxy-5-methylphenyl)-4-oxobutanoic acid
CID 79785893
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate
CID 101154521
5-methyl-2-nonoxybenzoic acid
CID 63463067
(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926
2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930160
1-(2-chlorophenyl)-2-ethylhexan-1-one
CID 114963301
2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 103452969
2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 116708118
1-(2-ethoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 62302323

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one (CID 55196017) is 1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one is CCCCC(CC)C(=O)c1cc(C)ccc1OCC.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one?
The InChIKey is VSJBYCUQCFYBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-5-8-9-14(6-2)17(18)15-12-13(4)10-11-16(15)19-7-3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one?
1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one has a molecular weight of 262.39 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)-2-ethylhexan-1-one is sourced from PubChem (CID 55196017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).