1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one

C18H20O2 — CID 63490073

IUPAC1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C18H20O2/c1-18(2,3)17(20)15-12-14(9-10-16(15)19)11-13-7-5-4-6-8-13/h4-10,12,19H,11H2,1-3H3
InChIKeyAUZCASIXFWWGSA-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.21
Rot. Bonds3

About 1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one

1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one (PubChem CID 63490073) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one
PubChem CID63490073
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C18H20O2/c1-18(2,3)17(20)15-12-14(9-10-16(15)19)11-13-7-5-4-6-8-13/h4-10,12,19H,11H2,1-3H3
InChIKeyAUZCASIXFWWGSA-UHFFFAOYSA-N
XLogP4.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one (CID 63490073) is 1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc(Cc2ccccc2)ccc1O.
What is the InChIKey of 1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one?
The InChIKey is AUZCASIXFWWGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-18(2,3)17(20)15-12-14(9-10-16(15)19)11-13-7-5-4-6-8-13/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one?
1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 63490073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).