methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate

C15H16O4 — CID 129394628

IUPACmethyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate
SMILESCOC(=O)[C@@H](Cc1cc(O)c2ccccc2c1)OC
InChIInChI=1S/C15H16O4/c1-18-14(15(17)19-2)9-10-7-11-5-3-4-6-12(11)13(16)8-10/h3-8,14,16H,9H2,1-2H3/t14-/m1/s1
InChIKeyASETYWRNWKLIJL-CQSZACIVSA-N
MW260.29 g/mol
LogP2.28
Rot. Bonds4

About methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate

methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate (PubChem CID 129394628) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate
PubChem CID129394628
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Namemethyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate
SMILESCOC(=O)[C@@H](Cc1cc(O)c2ccccc2c1)OC
InChIInChI=1S/C15H16O4/c1-18-14(15(17)19-2)9-10-7-11-5-3-4-6-12(11)13(16)8-10/h3-8,14,16H,9H2,1-2H3/t14-/m1/s1
InChIKeyASETYWRNWKLIJL-CQSZACIVSA-N
XLogP2.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate?
The IUPAC name of methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate (CID 129394628) is methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate.
What is the SMILES notation for methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate?
The canonical SMILES for methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate is COC(=O)[C@@H](Cc1cc(O)c2ccccc2c1)OC.
What is the InChIKey of methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate?
The InChIKey is ASETYWRNWKLIJL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16O4/c1-18-14(15(17)19-2)9-10-7-11-5-3-4-6-12(11)13(16)8-10/h3-8,14,16H,9H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate?
methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate has a molecular weight of 260.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate is sourced from PubChem (CID 129394628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).