1-(4-tert-butylphenyl)-4-hydroxybutan-2-one

C14H20O2 — CID 141254494

IUPAC1-(4-tert-butylphenyl)-4-hydroxybutan-2-one
SMILESCC(C)(C)c1ccc(CC(=O)CCO)cc1
InChIInChI=1S/C14H20O2/c1-14(2,3)12-6-4-11(5-7-12)10-13(16)8-9-15/h4-7,15H,8-10H2,1-3H3
InChIKeyLJFNKACSWJXDHW-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.48
Rot. Bonds4

About 1-(4-tert-butylphenyl)-4-hydroxybutan-2-one

1-(4-tert-butylphenyl)-4-hydroxybutan-2-one (PubChem CID 141254494) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-hydroxybutan-2-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-hydroxybutan-2-one
PubChem CID141254494
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(4-tert-butylphenyl)-4-hydroxybutan-2-one
SMILESCC(C)(C)c1ccc(CC(=O)CCO)cc1
InChIInChI=1S/C14H20O2/c1-14(2,3)12-6-4-11(5-7-12)10-13(16)8-9-15/h4-7,15H,8-10H2,1-3H3
InChIKeyLJFNKACSWJXDHW-UHFFFAOYSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-tert-butylphenyl)-3-chloropropan-2-one
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1-(4-tert-butylphenyl)-4-methoxybutan-2-one
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5-amino-1-(4-tert-butylphenyl)hexan-2-one
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4-(4-tert-butylphenyl)-3-oxobutanenitrile
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CID 10291911
1-(4-tert-butylphenyl)-3-ethylsulfanylpropan-2-one
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1-(4-tert-butylphenyl)-5-(propan-2-ylamino)pentan-2-one
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1-(4-tert-butylphenyl)-4-(2,2-difluoroethoxy)butan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-hydroxybutan-2-one?
The IUPAC name of 1-(4-tert-butylphenyl)-4-hydroxybutan-2-one (CID 141254494) is 1-(4-tert-butylphenyl)-4-hydroxybutan-2-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-hydroxybutan-2-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-hydroxybutan-2-one is CC(C)(C)c1ccc(CC(=O)CCO)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-hydroxybutan-2-one?
The InChIKey is LJFNKACSWJXDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-14(2,3)12-6-4-11(5-7-12)10-13(16)8-9-15/h4-7,15H,8-10H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-hydroxybutan-2-one?
1-(4-tert-butylphenyl)-4-hydroxybutan-2-one has a molecular weight of 220.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-hydroxybutan-2-one is sourced from PubChem (CID 141254494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).