3-phenylmethoxyoxane-2,4,5-triol

C12H16O5 — CID 19602254

IUPAC3-phenylmethoxyoxane-2,4,5-triol
SMILESOC1COC(O)C(OCc2ccccc2)C1O
InChIInChI=1S/C12H16O5/c13-9-7-17-12(15)11(10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2
InChIKeyPOPHPOOKUZPUSF-UHFFFAOYSA-N
MW240.25 g/mol
LogP-0.36
Rot. Bonds3

About 3-phenylmethoxyoxane-2,4,5-triol

3-phenylmethoxyoxane-2,4,5-triol (PubChem CID 19602254) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-phenylmethoxyoxane-2,4,5-triol.

Molecular Properties

Compound Name3-phenylmethoxyoxane-2,4,5-triol
PubChem CID19602254
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name3-phenylmethoxyoxane-2,4,5-triol
SMILESOC1COC(O)C(OCc2ccccc2)C1O
InChIInChI=1S/C12H16O5/c13-9-7-17-12(15)11(10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2
InChIKeyPOPHPOOKUZPUSF-UHFFFAOYSA-N
XLogP-0.36
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-phenylmethoxyoxane-2,4,5-triol 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,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962
(3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol
CID 15489662
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
CID 131023997
(1R,2S,3S,4R,5R)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 12905001
(3R,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-5-phenylmethoxyoxane-3,4-diol
CID 10829053
(1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol
CID 10947855

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxyoxane-2,4,5-triol?
The IUPAC name of 3-phenylmethoxyoxane-2,4,5-triol (CID 19602254) is 3-phenylmethoxyoxane-2,4,5-triol.
What is the SMILES notation for 3-phenylmethoxyoxane-2,4,5-triol?
The canonical SMILES for 3-phenylmethoxyoxane-2,4,5-triol is OC1COC(O)C(OCc2ccccc2)C1O.
What is the InChIKey of 3-phenylmethoxyoxane-2,4,5-triol?
The InChIKey is POPHPOOKUZPUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c13-9-7-17-12(15)11(10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2.
What are the key properties of 3-phenylmethoxyoxane-2,4,5-triol?
3-phenylmethoxyoxane-2,4,5-triol has a molecular weight of 240.25 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxyoxane-2,4,5-triol is sourced from PubChem (CID 19602254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).