2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one

C18H20O2 — CID 164767991

IUPAC2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one
SMILESCc1ccc(Cc2ccc(C(=O)C(C)(C)O)cc2)cc1
InChIInChI=1S/C18H20O2/c1-13-4-6-14(7-5-13)12-15-8-10-16(11-9-15)17(19)18(2,3)20/h4-11,20H,12H2,1-3H3
InChIKeyIIBFWQWOLONOEE-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.54
Rot. Bonds4

About 2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one

2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one (PubChem CID 164767991) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one
PubChem CID164767991
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one
SMILESCc1ccc(Cc2ccc(C(=O)C(C)(C)O)cc2)cc1
InChIInChI=1S/C18H20O2/c1-13-4-6-14(7-5-13)12-15-8-10-16(11-9-15)17(19)18(2,3)20/h4-11,20H,12H2,1-3H3
InChIKeyIIBFWQWOLONOEE-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
CID 68791945
2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 68738644
2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one;bis(3-phenylprop-2-enoic acid)
CID 175840698
2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one
CID 68740379
[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl acetate
CID 68741075
3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one
CID 103446225
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
4-[4-(2-hydroxy-2-methylpropanoyl)phenyl]butanoic acid
CID 21191564
2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one
CID 91546266
2-hydroxy-1-[4-[12-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]dodecoxymethyl]phenyl]-2-methylpropan-1-one
CID 68739413
1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 22182131
2-hydroxy-1-[4-[6-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]hexoxymethyl]phenyl]-2-methylpropan-1-one
CID 91446599

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one (CID 164767991) is 2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one is Cc1ccc(Cc2ccc(C(=O)C(C)(C)O)cc2)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one?
The InChIKey is IIBFWQWOLONOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13-4-6-14(7-5-13)12-15-8-10-16(11-9-15)17(19)18(2,3)20/h4-11,20H,12H2,1-3H3.
What are the key properties of 2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one?
2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one is sourced from PubChem (CID 164767991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).