(4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate

C12H14O5 — CID 135271655

IUPAC(4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate
SMILESCOc1cc(C=O)ccc1OC(=O)[C@H](C)OC
InChIInChI=1S/C12H14O5/c1-8(15-2)12(14)17-10-5-4-9(7-13)6-11(10)16-3/h4-8H,1-3H3/t8-/m0/s1
InChIKeyRTENMBFGRGFWLR-QMMMGPOBSA-N
MW238.24 g/mol
LogP1.45
Rot. Bonds5

About (4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate

(4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate (PubChem CID 135271655) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is (4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate.

Molecular Properties

Compound Name(4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate
PubChem CID135271655
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name(4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate
SMILESCOc1cc(C=O)ccc1OC(=O)[C@H](C)OC
InChIInChI=1S/C12H14O5/c1-8(15-2)12(14)17-10-5-4-9(7-13)6-11(10)16-3/h4-8H,1-3H3/t8-/m0/s1
InChIKeyRTENMBFGRGFWLR-QMMMGPOBSA-N
XLogP1.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829
(4-formyl-2-methoxyphenyl) 5-hydroxy-2-propan-2-ylhexanoate
CID 19893099
2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085549
2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 43084736
2-(5-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085566
(4-formyl-2-methoxyphenyl) 5-hydroxyhexanoate
CID 163765604
[4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate
CID 135271656
2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112243
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
(5-formyl-2-methoxyphenyl) 2-chloroacetate
CID 592476
(4-formyl-2-methoxyphenyl) 4-fluorobenzoate
CID 766120
(4-formyl-2-methoxyphenyl) 3,4,5-trihydroxybenzoate
CID 175007012

Frequently Asked Questions

What is the IUPAC name of (4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate?
The IUPAC name of (4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate (CID 135271655) is (4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate.
What is the SMILES notation for (4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate?
The canonical SMILES for (4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate is COc1cc(C=O)ccc1OC(=O)[C@H](C)OC.
What is the InChIKey of (4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate?
The InChIKey is RTENMBFGRGFWLR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14O5/c1-8(15-2)12(14)17-10-5-4-9(7-13)6-11(10)16-3/h4-8H,1-3H3/t8-/m0/s1.
What are the key properties of (4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate?
(4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate has a molecular weight of 238.24 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate is sourced from PubChem (CID 135271655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).