(2R,4R)-4-phenylbutane-1,2,4-triol

C10H14O3 — CID 14940547

IUPAC(2R,4R)-4-phenylbutane-1,2,4-triol
SMILESOC[C@H](O)C[C@@H](O)c1ccccc1
InChIInChI=1S/C10H14O3/c11-7-9(12)6-10(13)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-/m1/s1
InChIKeyDHURKUJTEAIZJM-NXEZZACHSA-N
MW182.22 g/mol
LogP0.46
Rot. Bonds4

About (2R,4R)-4-phenylbutane-1,2,4-triol

(2R,4R)-4-phenylbutane-1,2,4-triol (PubChem CID 14940547) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R,4R)-4-phenylbutane-1,2,4-triol.

Molecular Properties

Compound Name(2R,4R)-4-phenylbutane-1,2,4-triol
PubChem CID14940547
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2R,4R)-4-phenylbutane-1,2,4-triol
SMILESOC[C@H](O)C[C@@H](O)c1ccccc1
InChIInChI=1S/C10H14O3/c11-7-9(12)6-10(13)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-/m1/s1
InChIKeyDHURKUJTEAIZJM-NXEZZACHSA-N
XLogP0.46
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 168793676
1-phenylpropane-1,3-diol
CID 572059
(1R,3S,4R)-3-methyl-1-phenylpentane-1,4-diol
CID 134976119
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442
[(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium
CID 2102063
1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol
CID 159196107
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
4,4-dimethyl-1-phenylpentane-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-phenylbutane-1,2,4-triol?
The IUPAC name of (2R,4R)-4-phenylbutane-1,2,4-triol (CID 14940547) is (2R,4R)-4-phenylbutane-1,2,4-triol.
What is the SMILES notation for (2R,4R)-4-phenylbutane-1,2,4-triol?
The canonical SMILES for (2R,4R)-4-phenylbutane-1,2,4-triol is OC[C@H](O)C[C@@H](O)c1ccccc1.
What is the InChIKey of (2R,4R)-4-phenylbutane-1,2,4-triol?
The InChIKey is DHURKUJTEAIZJM-NXEZZACHSA-N. The full InChI is InChI=1S/C10H14O3/c11-7-9(12)6-10(13)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-4-phenylbutane-1,2,4-triol?
(2R,4R)-4-phenylbutane-1,2,4-triol has a molecular weight of 182.22 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-phenylbutane-1,2,4-triol is sourced from PubChem (CID 14940547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).