propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate

C14H20O5 — CID 82002031

IUPACpropan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate
SMILESCOc1ccc([C@H](C)O)c(OCC(=O)OC(C)C)c1
InChIInChI=1S/C14H20O5/c1-9(2)19-14(16)8-18-13-7-11(17-4)5-6-12(13)10(3)15/h5-7,9-10,15H,8H2,1-4H3/t10-/m0/s1
InChIKeyRDOJMCSKUWYDBH-JTQLQIEISA-N
MW268.31 g/mol
LogP2.08
Rot. Bonds6

About propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate

propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate (PubChem CID 82002031) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate
PubChem CID82002031
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Namepropan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate
SMILESCOc1ccc([C@H](C)O)c(OCC(=O)OC(C)C)c1
InChIInChI=1S/C14H20O5/c1-9(2)19-14(16)8-18-13-7-11(17-4)5-6-12(13)10(3)15/h5-7,9-10,15H,8H2,1-4H3/t10-/m0/s1
InChIKeyRDOJMCSKUWYDBH-JTQLQIEISA-N
XLogP2.08
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]acetamide
CID 82001157
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
CID 82001396
1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol
CID 82002087
N-cyclopropyl-2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]acetamide
CID 82001807
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone
CID 82002837
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 82002849
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 82002921
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate?
The IUPAC name of propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate (CID 82002031) is propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate is COc1ccc([C@H](C)O)c(OCC(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate?
The InChIKey is RDOJMCSKUWYDBH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20O5/c1-9(2)19-14(16)8-18-13-7-11(17-4)5-6-12(13)10(3)15/h5-7,9-10,15H,8H2,1-4H3/t10-/m0/s1.
What are the key properties of propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate?
propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate has a molecular weight of 268.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate is sourced from PubChem (CID 82002031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).