1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one

C14H20O — CID 19870051

IUPAC1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C14H20O/c1-5-13(15)11-7-9-12(10-8-11)14(3,4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyBYPHHFPLNRCWDW-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.97
Rot. Bonds4

About 1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one

1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one (PubChem CID 19870051) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one
PubChem CID19870051
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C14H20O/c1-5-13(15)11-7-9-12(10-8-11)14(3,4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyBYPHHFPLNRCWDW-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-methylbutan-2-yl)phenyl]-2-phenylethanone
CID 66258775
1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one
CID 147995396
2-(4-fluorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanone
CID 66245946
1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]propan-1-one
CID 162250472
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66245563
phenyl 4-(2-methylbutan-2-yl)benzoate
CID 67160736
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
1-(4-aminophenyl)propan-1-one
CID 6270
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752
[4-(2-methylbutan-2-yl)phenyl] 4-methoxybenzoate
CID 23010917
1-phenyl(111C)propan-1-one
CID 11159350
(5-chlorofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 106683844

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one (CID 19870051) is 1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one is CCC(=O)c1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one?
The InChIKey is BYPHHFPLNRCWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-13(15)11-7-9-12(10-8-11)14(3,4)6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one?
1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one has a molecular weight of 204.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one is sourced from PubChem (CID 19870051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).