methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate

C19H22O4 — CID 11130824

IUPACmethyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate
SMILESCOC(=O)[C@@](C)(COCc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C19H22O4/c1-19(18(20)22-3,16-10-7-11-17(12-16)21-2)14-23-13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3/t19-/m0/s1
InChIKeyTZIVQGHPJIYSEH-IBGZPJMESA-N
MW314.38 g/mol
LogP3.34
Rot. Bonds7

About methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate

methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate (PubChem CID 11130824) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate
PubChem CID11130824
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Namemethyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate
SMILESCOC(=O)[C@@](C)(COCc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C19H22O4/c1-19(18(20)22-3,16-10-7-11-17(12-16)21-2)14-23-13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3/t19-/m0/s1
InChIKeyTZIVQGHPJIYSEH-IBGZPJMESA-N
XLogP3.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate?
The IUPAC name of methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate (CID 11130824) is methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate.
What is the SMILES notation for methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate?
The canonical SMILES for methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate is COC(=O)[C@@](C)(COCc1ccccc1)c1cccc(OC)c1.
What is the InChIKey of methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate?
The InChIKey is TZIVQGHPJIYSEH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22O4/c1-19(18(20)22-3,16-10-7-11-17(12-16)21-2)14-23-13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3/t19-/m0/s1.
What are the key properties of methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate?
methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate has a molecular weight of 314.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate is sourced from PubChem (CID 11130824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).