2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one

C17H26O2 — CID 116707745

IUPAC2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one
SMILESCCCC(OCC)C(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H26O2/c1-5-8-16(19-6-2)17(18)15-10-7-9-14(12-15)11-13(3)4/h7,9-10,12-13,16H,5-6,8,11H2,1-4H3
InChIKeyMYDYFODTWOLUGJ-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.27
Rot. Bonds8

About 2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one

2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one (PubChem CID 116707745) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one
PubChem CID116707745
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one
SMILESCCCC(OCC)C(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H26O2/c1-5-8-16(19-6-2)17(18)15-10-7-9-14(12-15)11-13(3)4/h7,9-10,12-13,16H,5-6,8,11H2,1-4H3
InChIKeyMYDYFODTWOLUGJ-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-one
CID 116708645
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268
3-(2-methylpropyl)benzamide
CID 23130390
2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 116707896
ethyl 2-methyl-3-[3-(2-methylpropyl)phenyl]propanoate
CID 134600479
fluoro 3-(2-methylpropyl)benzoate
CID 176661814
1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
CID 116551357
(2R)-2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
CID 104891234
1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one
CID 116707900
4-(2-aminoethyl)-1-[3-(2-methylpropyl)phenyl]heptan-1-one
CID 116583003
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one?
The IUPAC name of 2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one (CID 116707745) is 2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one.
What is the SMILES notation for 2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one?
The canonical SMILES for 2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one is CCCC(OCC)C(=O)c1cccc(CC(C)C)c1.
What is the InChIKey of 2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one?
The InChIKey is MYDYFODTWOLUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-5-8-16(19-6-2)17(18)15-10-7-9-14(12-15)11-13(3)4/h7,9-10,12-13,16H,5-6,8,11H2,1-4H3.
What are the key properties of 2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one?
2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one has a molecular weight of 262.39 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one is sourced from PubChem (CID 116707745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).