methyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate

C15H12Cl2O3 — CID 22574217

IUPACmethyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-20-14(18)15(19,10-4-2-6-12(16)8-10)11-5-3-7-13(17)9-11/h2-9,19H,1H3
InChIKeyNMAPICHHVUOLCK-UHFFFAOYSA-N
MW311.16 g/mol
LogP3.40
Rot. Bonds3

About methyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate

methyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate (PubChem CID 22574217) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is methyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate
PubChem CID22574217
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Namemethyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-20-14(18)15(19,10-4-2-6-12(16)8-10)11-5-3-7-13(17)9-11/h2-9,19H,1H3
InChIKeyNMAPICHHVUOLCK-UHFFFAOYSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Chlorobenzilate
CID 10522
Chloropropylate
CID 22094
Benzilic acid
CID 6463
Chlorflurenol
CID 17169
Chlorflurenol methyl
CID 17334
Methyl benzilate
CID 66159
(R)-2-(3-Chlorophenyl)-2-hydroxyacetic acid
CID 2733127
3-Chloromandelic acid
CID 85981
Ethyl diphenylglycolate
CID 96261
BAJ 2740-ketohydroxy
CID 139596637
BAJ 2740-dihydroxy
CID 139597739
Methyl alpha-cyclohexyl-alpha-hydroxybenzeneacetate
CID 112035

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate (CID 22574217) is methyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate is COC(=O)C(O)(c1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of methyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate?
The InChIKey is NMAPICHHVUOLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-20-14(18)15(19,10-4-2-6-12(16)8-10)11-5-3-7-13(17)9-11/h2-9,19H,1H3.
What are the key properties of methyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate?
methyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate has a molecular weight of 311.16 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-bis(3-chlorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 22574217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).