[(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate

C13H18O5 — CID 54545892

IUPAC[(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate
SMILESCOc1ccc([C@H](CO)COC(C)=O)c(OC)c1
InChIInChI=1S/C13H18O5/c1-9(15)18-8-10(7-14)12-5-4-11(16-2)6-13(12)17-3/h4-6,10,14H,7-8H2,1-3H3/t10-/m1/s1
InChIKeyZGMMNLAKYXZUBK-SNVBAGLBSA-N
MW254.28 g/mol
LogP1.34
Rot. Bonds6

About [(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate

[(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate (PubChem CID 54545892) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is [(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate.

Molecular Properties

Compound Name[(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate
PubChem CID54545892
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name[(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate
SMILESCOc1ccc([C@H](CO)COC(C)=O)c(OC)c1
InChIInChI=1S/C13H18O5/c1-9(15)18-8-10(7-14)12-5-4-11(16-2)6-13(12)17-3/h4-6,10,14H,7-8H2,1-3H3/t10-/m1/s1
InChIKeyZGMMNLAKYXZUBK-SNVBAGLBSA-N
XLogP1.34
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-3-hydroxy-2-(4-methoxyphenyl)propyl] acetate
CID 15668336
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
CID 116942209
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate?
The IUPAC name of [(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate (CID 54545892) is [(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate.
What is the SMILES notation for [(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate?
The canonical SMILES for [(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate is COc1ccc([C@H](CO)COC(C)=O)c(OC)c1.
What is the InChIKey of [(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate?
The InChIKey is ZGMMNLAKYXZUBK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18O5/c1-9(15)18-8-10(7-14)12-5-4-11(16-2)6-13(12)17-3/h4-6,10,14H,7-8H2,1-3H3/t10-/m1/s1.
What are the key properties of [(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate?
[(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate has a molecular weight of 254.28 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2,4-dimethoxyphenyl)-3-hydroxypropyl] acetate is sourced from PubChem (CID 54545892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).