1-(2-ethylphenyl)pentan-1-one;pentane

C18H30O — CID 142147591

IUPAC1-(2-ethylphenyl)pentan-1-one;pentane
SMILESCCCCC.CCCCC(=O)c1ccccc1CC
InChIInChI=1S/C13H18O.C5H12/c1-3-5-10-13(14)12-9-7-6-8-11(12)4-2;1-3-5-4-2/h6-9H,3-5,10H2,1-2H3;3-5H2,1-2H3
InChIKeyJCWZCGOZNCPSTI-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.82
Rot. Bonds7

About 1-(2-ethylphenyl)pentan-1-one;pentane

1-(2-ethylphenyl)pentan-1-one;pentane (PubChem CID 142147591) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(2-ethylphenyl)pentan-1-one;pentane.

Molecular Properties

Compound Name1-(2-ethylphenyl)pentan-1-one;pentane
PubChem CID142147591
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-(2-ethylphenyl)pentan-1-one;pentane
SMILESCCCCC.CCCCC(=O)c1ccccc1CC
InChIInChI=1S/C13H18O.C5H12/c1-3-5-10-13(14)12-9-7-6-8-11(12)4-2;1-3-5-4-2/h6-9H,3-5,10H2,1-2H3;3-5H2,1-2H3
InChIKeyJCWZCGOZNCPSTI-UHFFFAOYSA-N
XLogP5.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-(2-ethylphenyl)butan-1-one
CID 14910275
1-(2-ethylphenyl)-4-ethylsulfonylbutan-1-one
CID 114974508
1-(2-octadecylphenyl)butan-1-one
CID 174561443
1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one
CID 100963408
4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one
CID 18626360
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-[2-(aminomethyl)phenyl]-4-(4-butylpiperazin-1-yl)butan-1-one
CID 151007578
1-(2-ethylphenyl)-2-[2-(2-ethylphenyl)-2-oxoethyl]sulfanylcarbonylsulfanylethanone
CID 155317146
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)pentan-1-one;pentane?
The IUPAC name of 1-(2-ethylphenyl)pentan-1-one;pentane (CID 142147591) is 1-(2-ethylphenyl)pentan-1-one;pentane.
What is the SMILES notation for 1-(2-ethylphenyl)pentan-1-one;pentane?
The canonical SMILES for 1-(2-ethylphenyl)pentan-1-one;pentane is CCCCC.CCCCC(=O)c1ccccc1CC.
What is the InChIKey of 1-(2-ethylphenyl)pentan-1-one;pentane?
The InChIKey is JCWZCGOZNCPSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C5H12/c1-3-5-10-13(14)12-9-7-6-8-11(12)4-2;1-3-5-4-2/h6-9H,3-5,10H2,1-2H3;3-5H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)pentan-1-one;pentane?
1-(2-ethylphenyl)pentan-1-one;pentane has a molecular weight of 262.44 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)pentan-1-one;pentane is sourced from PubChem (CID 142147591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).