methyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate

C19H15ClO3 — CID 134945567

IUPACmethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate
SMILESCOC(=O)[C@@](O)(c1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15ClO3/c1-23-18(21)19(22,15-8-10-17(20)11-9-15)16-7-6-13-4-2-3-5-14(13)12-16/h2-12,22H,1H3/t19-/m1/s1
InChIKeyXXLHXWMJPURQQG-LJQANCHMSA-N
MW326.78 g/mol
LogP3.90
Rot. Bonds3

About methyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate

methyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate (PubChem CID 134945567) has the molecular formula C19H15ClO3 and a molecular weight of 326.78 g/mol. Its IUPAC name is methyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate
PubChem CID134945567
Molecular FormulaC19H15ClO3
Molecular Weight326.78 g/mol
Exact Mass326.07
IUPAC Namemethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate
SMILESCOC(=O)[C@@](O)(c1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15ClO3/c1-23-18(21)19(22,15-8-10-17(20)11-9-15)16-7-6-13-4-2-3-5-14(13)12-16/h2-12,22H,1H3/t19-/m1/s1
InChIKeyXXLHXWMJPURQQG-LJQANCHMSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate?
The IUPAC name of methyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate (CID 134945567) is methyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate.
What is the SMILES notation for methyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate?
The canonical SMILES for methyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate is COC(=O)[C@@](O)(c1ccc(Cl)cc1)c1ccc2ccccc2c1.
What is the InChIKey of methyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate?
The InChIKey is XXLHXWMJPURQQG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15ClO3/c1-23-18(21)19(22,15-8-10-17(20)11-9-15)16-7-6-13-4-2-3-5-14(13)12-16/h2-12,22H,1H3/t19-/m1/s1.
What are the key properties of methyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate?
methyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate has a molecular weight of 326.78 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-naphthalen-2-ylacetate is sourced from PubChem (CID 134945567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).