3-methyl-3-(4-propylphenyl)butan-2-one

C14H20O — CID 82282891

IUPAC3-methyl-3-(4-propylphenyl)butan-2-one
SMILESCCCc1ccc(C(C)(C)C(C)=O)cc1
InChIInChI=1S/C14H20O/c1-5-6-12-7-9-13(10-8-12)14(3,4)11(2)15/h7-10H,5-6H2,1-4H3
InChIKeyYVLULZPGJPIMPQ-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.51
Rot. Bonds4

About 3-methyl-3-(4-propylphenyl)butan-2-one

3-methyl-3-(4-propylphenyl)butan-2-one (PubChem CID 82282891) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-methyl-3-(4-propylphenyl)butan-2-one.

Molecular Properties

Compound Name3-methyl-3-(4-propylphenyl)butan-2-one
PubChem CID82282891
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-methyl-3-(4-propylphenyl)butan-2-one
SMILESCCCc1ccc(C(C)(C)C(C)=O)cc1
InChIInChI=1S/C14H20O/c1-5-6-12-7-9-13(10-8-12)14(3,4)11(2)15/h7-10H,5-6H2,1-4H3
InChIKeyYVLULZPGJPIMPQ-UHFFFAOYSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303
2-(4-butylphenyl)-2-methylpropanamide
CID 70289793
1-(4-propylphenyl)propan-2-one
CID 82490574
2-hydrazinyl-2-(4-propylphenyl)propanoic acid
CID 82127906
methyl 2-(4-butylphenyl)-2-methylpropanoate
CID 67631955
ethane;4-propylbenzoic acid
CID 91047964
N-[2-methyl-2-(4-propylphenyl)propyl]carbamoyl bromide
CID 115194217
2-fluoro-2-(4-propylphenyl)propanal
CID 105448168
3,3-difluoro-3-(4-propylphenyl)propanoic acid
CID 116838337
ethyl 2-[4-[3-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phenyl]propyl]phenyl]-2-methylpropanoate
CID 70583800
methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate
CID 65235254
N'-hydroxy-4-propylbenzohydrazide
CID 18359035

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-propylphenyl)butan-2-one?
The IUPAC name of 3-methyl-3-(4-propylphenyl)butan-2-one (CID 82282891) is 3-methyl-3-(4-propylphenyl)butan-2-one.
What is the SMILES notation for 3-methyl-3-(4-propylphenyl)butan-2-one?
The canonical SMILES for 3-methyl-3-(4-propylphenyl)butan-2-one is CCCc1ccc(C(C)(C)C(C)=O)cc1.
What is the InChIKey of 3-methyl-3-(4-propylphenyl)butan-2-one?
The InChIKey is YVLULZPGJPIMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-6-12-7-9-13(10-8-12)14(3,4)11(2)15/h7-10H,5-6H2,1-4H3.
What are the key properties of 3-methyl-3-(4-propylphenyl)butan-2-one?
3-methyl-3-(4-propylphenyl)butan-2-one has a molecular weight of 204.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-propylphenyl)butan-2-one is sourced from PubChem (CID 82282891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).