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

C13H18O2 — CID 117114960

IUPAC1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C(C)(C)CO)cc1
InChIInChI=1S/C13H18O2/c1-10(15)8-11-4-6-12(7-5-11)13(2,3)9-14/h4-7,14H,8-9H2,1-3H3
InChIKeyLLOSFRYZCXAKGT-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.09
Rot. Bonds4

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

1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one (PubChem CID 117114960) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one
PubChem CID117114960
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C(C)(C)CO)cc1
InChIInChI=1S/C13H18O2/c1-10(15)8-11-4-6-12(7-5-11)13(2,3)9-14/h4-7,14H,8-9H2,1-3H3
InChIKeyLLOSFRYZCXAKGT-UHFFFAOYSA-N
XLogP2.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol
CID 117111172
2-[4-[2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-yl]phenyl]-2-methylpropan-1-ol
CID 14440449
1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one
CID 155748385
2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol
CID 117111989
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
1-[4-(iodomethyl)phenyl]propan-2-one
CID 20596365
1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117111875
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
benzene;1-phenylpropan-2-one
CID 21430852
1-(4-propylphenyl)propan-2-one
CID 82490574

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one (CID 117114960) is 1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one is CC(=O)Cc1ccc(C(C)(C)CO)cc1.
What is the InChIKey of 1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one?
The InChIKey is LLOSFRYZCXAKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(15)8-11-4-6-12(7-5-11)13(2,3)9-14/h4-7,14H,8-9H2,1-3H3.
What are the key properties of 1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one?
1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one has a molecular weight of 206.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one is sourced from PubChem (CID 117114960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).