5-(4-butylphenyl)pentan-2-one;ethane

C17H28O — CID 143473141

IUPAC5-(4-butylphenyl)pentan-2-one;ethane
SMILESCC.CCCCc1ccc(CCCC(C)=O)cc1
InChIInChI=1S/C15H22O.C2H6/c1-3-4-7-14-9-11-15(12-10-14)8-5-6-13(2)16;1-2/h9-12H,3-8H2,1-2H3;1-2H3
InChIKeyBWLVQKDEKDLJIO-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.97
Rot. Bonds7

About 5-(4-butylphenyl)pentan-2-one;ethane

5-(4-butylphenyl)pentan-2-one;ethane (PubChem CID 143473141) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 5-(4-butylphenyl)pentan-2-one;ethane.

Molecular Properties

Compound Name5-(4-butylphenyl)pentan-2-one;ethane
PubChem CID143473141
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name5-(4-butylphenyl)pentan-2-one;ethane
SMILESCC.CCCCc1ccc(CCCC(C)=O)cc1
InChIInChI=1S/C15H22O.C2H6/c1-3-4-7-14-9-11-15(12-10-14)8-5-6-13(2)16;1-2/h9-12H,3-8H2,1-2H3;1-2H3
InChIKeyBWLVQKDEKDLJIO-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-hexylphenyl)butan-2-one
CID 67820742
6-(4-butylphenoxy)hexan-2-one
CID 115492852
1-(4-butylphenyl)heptan-4-one
CID 83921783
methane;5-(4-methylphenyl)pentan-2-one
CID 159376155
5-phenylpentan-2-one
CID 16701
5-[4-(ethylamino)phenyl]pentan-2-one
CID 71063356
N,N-dimethyl-4-(4-oxopentyl)benzamide
CID 10988164
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
2-(4-butylphenyl)ethyl acetate
CID 91655434
5-[4-[bis(2-chloroethyl)amino]phenyl]pentan-2-one;ethane
CID 144702988
4-[4-(4-oxopentyl)phenyl]butylcarbamic acid
CID 91326870

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)pentan-2-one;ethane?
The IUPAC name of 5-(4-butylphenyl)pentan-2-one;ethane (CID 143473141) is 5-(4-butylphenyl)pentan-2-one;ethane.
What is the SMILES notation for 5-(4-butylphenyl)pentan-2-one;ethane?
The canonical SMILES for 5-(4-butylphenyl)pentan-2-one;ethane is CC.CCCCc1ccc(CCCC(C)=O)cc1.
What is the InChIKey of 5-(4-butylphenyl)pentan-2-one;ethane?
The InChIKey is BWLVQKDEKDLJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O.C2H6/c1-3-4-7-14-9-11-15(12-10-14)8-5-6-13(2)16;1-2/h9-12H,3-8H2,1-2H3;1-2H3.
What are the key properties of 5-(4-butylphenyl)pentan-2-one;ethane?
5-(4-butylphenyl)pentan-2-one;ethane has a molecular weight of 248.41 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)pentan-2-one;ethane is sourced from PubChem (CID 143473141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).