1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one

C13H18O2 — CID 81251769

IUPAC1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one
SMILESCc1cc(C(=O)C(C)(C)C)c(C)cc1O
InChIInChI=1S/C13H18O2/c1-8-7-11(14)9(2)6-10(8)12(15)13(3,4)5/h6-7,14H,1-5H3
InChIKeyVYMRAVYNKNUAMX-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.24
Rot. Bonds1

About 1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one

1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one (PubChem CID 81251769) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one
PubChem CID81251769
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one
SMILESCc1cc(C(=O)C(C)(C)C)c(C)cc1O
InChIInChI=1S/C13H18O2/c1-8-7-11(14)9(2)6-10(8)12(15)13(3,4)5/h6-7,14H,1-5H3
InChIKeyVYMRAVYNKNUAMX-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one (CID 81251769) is 1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one is Cc1cc(C(=O)C(C)(C)C)c(C)cc1O.
What is the InChIKey of 1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one?
The InChIKey is VYMRAVYNKNUAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-8-7-11(14)9(2)6-10(8)12(15)13(3,4)5/h6-7,14H,1-5H3.
What are the key properties of 1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one?
1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 81251769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).