1-(4-phenylphenyl)butane-1,2,4-triol

C16H18O3 — CID 171873101

IUPAC1-(4-phenylphenyl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18O3/c17-11-10-15(18)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-19H,10-11H2
InChIKeyLRIBXJRGNNRZCQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.13
Rot. Bonds5

About 1-(4-phenylphenyl)butane-1,2,4-triol

1-(4-phenylphenyl)butane-1,2,4-triol (PubChem CID 171873101) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-phenylphenyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(4-phenylphenyl)butane-1,2,4-triol
PubChem CID171873101
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-(4-phenylphenyl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18O3/c17-11-10-15(18)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-19H,10-11H2
InChIKeyLRIBXJRGNNRZCQ-UHFFFAOYSA-N
XLogP2.13
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol
CID 170820677
diphospazane;1-(4-phenylphenyl)propane-1,3-diol
CID 145407356
1-(4-fluorophenyl)butane-1,2,4-triol
CID 171871723
3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439
3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol
CID 175226150
2-ethyl-1-(4-phenylphenyl)butan-1-ol
CID 63425864
3-(dimethylamino)-3-(4-phenylphenyl)propan-1-ol
CID 116907655
3-(methylamino)-3-(4-phenylphenyl)propan-1-ol
CID 64813021
1-(5-phenyl-1H-pyrazol-4-yl)butane-1,2,4-triol
CID 171873055
(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
CID 66722513
1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol
CID 103456996
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)butane-1,2,4-triol?
The IUPAC name of 1-(4-phenylphenyl)butane-1,2,4-triol (CID 171873101) is 1-(4-phenylphenyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(4-phenylphenyl)butane-1,2,4-triol?
The canonical SMILES for 1-(4-phenylphenyl)butane-1,2,4-triol is OCCC(O)C(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)butane-1,2,4-triol?
The InChIKey is LRIBXJRGNNRZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c17-11-10-15(18)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-19H,10-11H2.
What are the key properties of 1-(4-phenylphenyl)butane-1,2,4-triol?
1-(4-phenylphenyl)butane-1,2,4-triol has a molecular weight of 258.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)butane-1,2,4-triol is sourced from PubChem (CID 171873101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).