[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate

C20H24O5 — CID 101029598

IUPAC[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate
SMILESCC(=O)O[C@@H](COCc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C20H24O5/c1-16(21)25-20(15-24-13-18-10-6-3-7-11-18)19(22)14-23-12-17-8-4-2-5-9-17/h2-11,19-20,22H,12-15H2,1H3/t19-,20-/m0/s1
InChIKeyQDQNRTSXNYVMPC-PMACEKPBSA-N
MW344.41 g/mol
LogP2.71
Rot. Bonds10

About [(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate

[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate (PubChem CID 101029598) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is [(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate
PubChem CID101029598
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate
SMILESCC(=O)O[C@@H](COCc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C20H24O5/c1-16(21)25-20(15-24-13-18-10-6-3-7-11-18)19(22)14-23-12-17-8-4-2-5-9-17/h2-11,19-20,22H,12-15H2,1H3/t19-,20-/m0/s1
InChIKeyQDQNRTSXNYVMPC-PMACEKPBSA-N
XLogP2.71
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3S,4S)-2,3,4-triacetyloxy-5-phenylmethoxypentyl] acetate
CID 101133703
[(2R,4S,5R)-4-acetyloxy-5,6-dihydroxy-1-phenylmethoxyhexan-2-yl] acetate
CID 56590716
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-6-phenyl-1-phenylmethoxyhexan-2-yl] acetate
CID 154947729
[(2R,3S,4S)-4-acetyloxy-3,5-dimethyl-1-phenylmethoxyhex-5-en-2-yl] acetate
CID 102437861
[(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate
CID 101392493
[(2R)-1-bromo-3-phenylmethoxypropan-2-yl] acetate
CID 118705262
[(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate
CID 24857975
(2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid
CID 10566133
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2S,3R,4R)-3,5-dimethyl-1-phenylmethoxyhex-5-ene-2,4-diol
CID 13181765
[(E)-5-acetyloxy-2,4,6-tris(phenylmethoxy)hex-2-enyl] acetate
CID 14312025
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate?
The IUPAC name of [(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate (CID 101029598) is [(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate?
The canonical SMILES for [(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate is CC(=O)O[C@@H](COCc1ccccc1)[C@@H](O)COCc1ccccc1.
What is the InChIKey of [(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate?
The InChIKey is QDQNRTSXNYVMPC-PMACEKPBSA-N. The full InChI is InChI=1S/C20H24O5/c1-16(21)25-20(15-24-13-18-10-6-3-7-11-18)19(22)14-23-12-17-8-4-2-5-9-17/h2-11,19-20,22H,12-15H2,1H3/t19-,20-/m0/s1.
What are the key properties of [(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate?
[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate has a molecular weight of 344.41 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate is sourced from PubChem (CID 101029598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).