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

C17H18O5 — CID 14024741

IUPACmethyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
SMILESCOC(=O)C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O5/c1-20-14-8-4-12(5-9-14)17(19,16(18)22-3)13-6-10-15(21-2)11-7-13/h4-11,19H,1-3H3
InChIKeyNMWZSLUIXUSVSH-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.11
Rot. Bonds5

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

methyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate (PubChem CID 14024741) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
PubChem CID14024741
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Namemethyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
SMILESCOC(=O)C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O5/c1-20-14-8-4-12(5-9-14)17(19,16(18)22-3)13-6-10-15(21-2)11-7-13/h4-11,19H,1-3H3
InChIKeyNMWZSLUIXUSVSH-UHFFFAOYSA-N
XLogP2.11
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate (CID 14024741) is methyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate is COC(=O)C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate?
The InChIKey is NMWZSLUIXUSVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-20-14-8-4-12(5-9-14)17(19,16(18)22-3)13-6-10-15(21-2)11-7-13/h4-11,19H,1-3H3.
What are the key properties of methyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate?
methyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate has a molecular weight of 302.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate is sourced from PubChem (CID 14024741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).