3-ethyl-1-(4-methylphenyl)pentan-2-one

C14H20O — CID 61077540

IUPAC3-ethyl-1-(4-methylphenyl)pentan-2-one
SMILESCCC(CC)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H20O/c1-4-13(5-2)14(15)10-12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3
InChIKeyVGEDPHOEFDCSDK-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.54
Rot. Bonds5

About 3-ethyl-1-(4-methylphenyl)pentan-2-one

3-ethyl-1-(4-methylphenyl)pentan-2-one (PubChem CID 61077540) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name3-ethyl-1-(4-methylphenyl)pentan-2-one
PubChem CID61077540
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-ethyl-1-(4-methylphenyl)pentan-2-one
SMILESCCC(CC)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H20O/c1-4-13(5-2)14(15)10-12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3
InChIKeyVGEDPHOEFDCSDK-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-3-methyl-1-(4-methylphenyl)pentan-2-one
CID 116612281
3-(methylamino)-1-(4-methylphenyl)butan-2-one
CID 116565005
2-[4-(2-ethylbutanoyl)phenyl]acetamide
CID 134539178
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
2-ethyl-7-(4-methylphenyl)heptanoic acid
CID 67371360
1-(3-chloro-4-fluorophenyl)-3-ethylpentan-2-one
CID 103042772
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
CID 116709353
2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115187033
N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide
CID 114307759
3-amino-5-methyl-1-(4-methylphenyl)hex-5-en-2-one
CID 174282572
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylphenyl)pentan-2-one?
The IUPAC name of 3-ethyl-1-(4-methylphenyl)pentan-2-one (CID 61077540) is 3-ethyl-1-(4-methylphenyl)pentan-2-one.
What is the SMILES notation for 3-ethyl-1-(4-methylphenyl)pentan-2-one?
The canonical SMILES for 3-ethyl-1-(4-methylphenyl)pentan-2-one is CCC(CC)C(=O)Cc1ccc(C)cc1.
What is the InChIKey of 3-ethyl-1-(4-methylphenyl)pentan-2-one?
The InChIKey is VGEDPHOEFDCSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-4-13(5-2)14(15)10-12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3.
What are the key properties of 3-ethyl-1-(4-methylphenyl)pentan-2-one?
3-ethyl-1-(4-methylphenyl)pentan-2-one has a molecular weight of 204.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methylphenyl)pentan-2-one is sourced from PubChem (CID 61077540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).