methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate

C17H18O3 — CID 22574226

IUPACmethyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate
SMILESCOC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H18O3/c1-12-4-8-14(9-5-12)17(19,16(18)20-3)15-10-6-13(2)7-11-15/h4-11,19H,1-3H3
InChIKeyINZXAUFHEMBBLF-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.71
Rot. Bonds3

About methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate

methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate (PubChem CID 22574226) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate
PubChem CID22574226
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate
SMILESCOC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H18O3/c1-12-4-8-14(9-5-12)17(19,16(18)20-3)15-10-6-13(2)7-11-15/h4-11,19H,1-3H3
InChIKeyINZXAUFHEMBBLF-UHFFFAOYSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate
CID 15626355
methyl 2-methyl-2-(4-methylphenyl)propanoate;2-methyl-2-(4-methylphenyl)propanoic acid
CID 160807405
methyl 4-hydroxy-4-(4-methylphenyl)pent-2-ynoate
CID 139257501
methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 62214661
dimethyl (2R,3R)-2,3-dicyano-2,3-bis(4-methylphenyl)butanedioate
CID 170847975
3-hydroxy-3-(4-methylphenyl)butan-2-one
CID 121217070
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
methyl 2-(4-methylphenyl)-2-phenyl-2-sulfanylacetate
CID 87833882
methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate
CID 105486345
methyl 2-hydroxy-2-(4-hydroxyphenyl)propanoate
CID 572033
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
methyl 2-(aminomethyl)-5,5-dimethyl-2-(4-methylphenyl)hexanoate
CID 106509351

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate (CID 22574226) is methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate is COC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate?
The InChIKey is INZXAUFHEMBBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-4-8-14(9-5-12)17(19,16(18)20-3)15-10-6-13(2)7-11-15/h4-11,19H,1-3H3.
What are the key properties of methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate?
methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate has a molecular weight of 270.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate is sourced from PubChem (CID 22574226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).