[(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate

C14H20O5 — CID 11448551

IUPAC[(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate
SMILESCOc1ccc(CO[C@H](CCO)COC(C)=O)cc1
InChIInChI=1S/C14H20O5/c1-11(16)18-10-14(7-8-15)19-9-12-3-5-13(17-2)6-4-12/h3-6,14-15H,7-10H2,1-2H3/t14-/m1/s1
InChIKeyCWBQTXKBJUBBGU-CQSZACIVSA-N
MW268.31 g/mol
LogP1.53
Rot. Bonds8

About [(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate

[(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate (PubChem CID 11448551) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is [(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate.

Molecular Properties

Compound Name[(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate
PubChem CID11448551
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name[(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate
SMILESCOc1ccc(CO[C@H](CCO)COC(C)=O)cc1
InChIInChI=1S/C14H20O5/c1-11(16)18-10-14(7-8-15)19-9-12-3-5-13(17-2)6-4-12/h3-6,14-15H,7-10H2,1-2H3/t14-/m1/s1
InChIKeyCWBQTXKBJUBBGU-CQSZACIVSA-N
XLogP1.53
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 72970803
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
[(2R)-2-[(4-methoxyphenyl)methoxy]-4-oxobutyl] 2,2-dimethylpropanoate
CID 11077714
3-[(4-methoxyphenyl)methoxy]pentan-1-amine
CID 43428425
[(2S)-3-hydroxy-2-(4-methoxyphenyl)propyl] acetate
CID 15668336
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate
CID 13275342
methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol
CID 160895993
(3S)-3-[(4-methoxyphenyl)methoxy]-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-1-ol
CID 11759144
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
[1-acetyloxy-3-(4-methoxyphenyl)propan-2-yl]-methylidyneazanium
CID 6329331

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate?
The IUPAC name of [(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate (CID 11448551) is [(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate.
What is the SMILES notation for [(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate?
The canonical SMILES for [(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate is COc1ccc(CO[C@H](CCO)COC(C)=O)cc1.
What is the InChIKey of [(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate?
The InChIKey is CWBQTXKBJUBBGU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20O5/c1-11(16)18-10-14(7-8-15)19-9-12-3-5-13(17-2)6-4-12/h3-6,14-15H,7-10H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate?
[(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate has a molecular weight of 268.31 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate is sourced from PubChem (CID 11448551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).