1-(3-butan-2-yl-4-propylphenyl)ethanone

C15H22O — CID 165142763

IUPAC1-(3-butan-2-yl-4-propylphenyl)ethanone
SMILESCCCc1ccc(C(C)=O)cc1C(C)CC
InChIInChI=1S/C15H22O/c1-5-7-13-8-9-14(12(4)16)10-15(13)11(3)6-2/h8-11H,5-7H2,1-4H3
InChIKeySVQYJZHYTYNBKJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.36
Rot. Bonds5

About 1-(3-butan-2-yl-4-propylphenyl)ethanone

1-(3-butan-2-yl-4-propylphenyl)ethanone (PubChem CID 165142763) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(3-butan-2-yl-4-propylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-butan-2-yl-4-propylphenyl)ethanone
PubChem CID165142763
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(3-butan-2-yl-4-propylphenyl)ethanone
SMILESCCCc1ccc(C(C)=O)cc1C(C)CC
InChIInChI=1S/C15H22O/c1-5-7-13-8-9-14(12(4)16)10-15(13)11(3)6-2/h8-11H,5-7H2,1-4H3
InChIKeySVQYJZHYTYNBKJ-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methyl-4-propylphenyl)ethanone
CID 118119464
4-acetyl-2-propylbenzenesulfonamide
CID 73012694
methyl 3-[(1R)-1-phenylethyl]-4-propylbenzoate
CID 170646622
1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone
CID 162722129
1-(4-chloro-3-propan-2-ylphenyl)ethanone
CID 58358949
1-[3-[(2S)-1,1-difluoropropan-2-yl]-4-fluorophenyl]ethanone
CID 126565552
1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone
CID 142331657
2-bromo-1-(3-butan-2-yl-4-chlorophenyl)ethanone
CID 21316710
(3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate
CID 150431295
1-[4-ethoxy-3-(2-methylbutylsulfinylmethyl)phenyl]ethanone
CID 103746908
3-acetyloxy-4-butan-2-ylbenzoic acid
CID 167317141
1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone
CID 126558424

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yl-4-propylphenyl)ethanone?
The IUPAC name of 1-(3-butan-2-yl-4-propylphenyl)ethanone (CID 165142763) is 1-(3-butan-2-yl-4-propylphenyl)ethanone.
What is the SMILES notation for 1-(3-butan-2-yl-4-propylphenyl)ethanone?
The canonical SMILES for 1-(3-butan-2-yl-4-propylphenyl)ethanone is CCCc1ccc(C(C)=O)cc1C(C)CC.
What is the InChIKey of 1-(3-butan-2-yl-4-propylphenyl)ethanone?
The InChIKey is SVQYJZHYTYNBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-7-13-8-9-14(12(4)16)10-15(13)11(3)6-2/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-(3-butan-2-yl-4-propylphenyl)ethanone?
1-(3-butan-2-yl-4-propylphenyl)ethanone has a molecular weight of 218.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yl-4-propylphenyl)ethanone is sourced from PubChem (CID 165142763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).