1-(4-ethoxyphenyl)-3-methylpentan-1-one

C14H20O2 — CID 13257676

IUPAC1-(4-ethoxyphenyl)-3-methylpentan-1-one
SMILESCCOc1ccc(C(=O)CC(C)CC)cc1
InChIInChI=1S/C14H20O2/c1-4-11(3)10-14(15)12-6-8-13(9-7-12)16-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyPILSBWTWIWNECT-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.70
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-methylpentan-1-one

1-(4-ethoxyphenyl)-3-methylpentan-1-one (PubChem CID 13257676) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-methylpentan-1-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-methylpentan-1-one
PubChem CID13257676
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(4-ethoxyphenyl)-3-methylpentan-1-one
SMILESCCOc1ccc(C(=O)CC(C)CC)cc1
InChIInChI=1S/C14H20O2/c1-4-11(3)10-14(15)12-6-8-13(9-7-12)16-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyPILSBWTWIWNECT-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one
CID 116596464
5-(4-ethoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 24727207
(2R)-2-amino-4-(4-ethoxyphenyl)-4-oxobutanoic acid
CID 720517
4-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550
2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone
CID 64643547
1-(4-ethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412755
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
4-(4-ethoxyphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414442
tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate
CID 83224734
(4-ethoxyphenyl) 4-(2-methylbutyl)benzoate
CID 91726746
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone
CID 114975551

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-methylpentan-1-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-methylpentan-1-one (CID 13257676) is 1-(4-ethoxyphenyl)-3-methylpentan-1-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-methylpentan-1-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-methylpentan-1-one is CCOc1ccc(C(=O)CC(C)CC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-methylpentan-1-one?
The InChIKey is PILSBWTWIWNECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-11(3)10-14(15)12-6-8-13(9-7-12)16-5-2/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-methylpentan-1-one?
1-(4-ethoxyphenyl)-3-methylpentan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-methylpentan-1-one is sourced from PubChem (CID 13257676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).