(2R,3R)-1-phenylbutane-1,2,3,4-tetrol

C10H14O4 — CID 66722513

IUPAC(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@H](O)C(O)c1ccccc1
InChIInChI=1S/C10H14O4/c11-6-8(12)10(14)9(13)7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9?,10+/m1/s1
InChIKeyWPOFFPSLZXBIEQ-FIBVVXLUSA-N
MW198.22 g/mol
LogP-0.57
Rot. Bonds4

About (2R,3R)-1-phenylbutane-1,2,3,4-tetrol

(2R,3R)-1-phenylbutane-1,2,3,4-tetrol (PubChem CID 66722513) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2R,3R)-1-phenylbutane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
PubChem CID66722513
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@H](O)C(O)c1ccccc1
InChIInChI=1S/C10H14O4/c11-6-8(12)10(14)9(13)7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9?,10+/m1/s1
InChIKeyWPOFFPSLZXBIEQ-FIBVVXLUSA-N
XLogP-0.57
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-1-phenylbutane-1,2,3,4-tetrol 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

(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol
CID 134931219
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol
CID 141239504
1,2-diphenylethane-1,2-diol
CID 159073808
butanoic acid;1-phenylpropane-1,2,3-triol
CID 174886420
2-bromo-1-phenylpropane-1,3-diol
CID 21270529
(1R,2R)-3-chloro-1-phenylpropane-1,2-diol
CID 129404895
(2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol
CID 102305426
(3S,4R,5R,6S)-1,3,4,5,6-pentahydroxy-6-phenylhexan-2-one
CID 11043342
1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol
CID 159196107
(2S,3S,4S,5S)-7-phenylheptane-1,2,3,4,5,6-hexol
CID 159388961
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-phenylbutane-1,2,3,4-tetrol?
The IUPAC name of (2R,3R)-1-phenylbutane-1,2,3,4-tetrol (CID 66722513) is (2R,3R)-1-phenylbutane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3R)-1-phenylbutane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3R)-1-phenylbutane-1,2,3,4-tetrol is OC[C@@H](O)[C@H](O)C(O)c1ccccc1.
What is the InChIKey of (2R,3R)-1-phenylbutane-1,2,3,4-tetrol?
The InChIKey is WPOFFPSLZXBIEQ-FIBVVXLUSA-N. The full InChI is InChI=1S/C10H14O4/c11-6-8(12)10(14)9(13)7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9?,10+/m1/s1.
What are the key properties of (2R,3R)-1-phenylbutane-1,2,3,4-tetrol?
(2R,3R)-1-phenylbutane-1,2,3,4-tetrol has a molecular weight of 198.22 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-phenylbutane-1,2,3,4-tetrol is sourced from PubChem (CID 66722513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).