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

C10H13FO3 — CID 171871723

IUPAC1-(4-fluorophenyl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1ccc(F)cc1
InChIInChI=1S/C10H13FO3/c11-8-3-1-7(2-4-8)10(14)9(13)5-6-12/h1-4,9-10,12-14H,5-6H2
InChIKeyKICRNPXIUULPPK-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.60
Rot. Bonds4

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

1-(4-fluorophenyl)butane-1,2,4-triol (PubChem CID 171871723) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(4-fluorophenyl)butane-1,2,4-triol
PubChem CID171871723
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name1-(4-fluorophenyl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1ccc(F)cc1
InChIInChI=1S/C10H13FO3/c11-8-3-1-7(2-4-8)10(14)9(13)5-6-12/h1-4,9-10,12-14H,5-6H2
InChIKeyKICRNPXIUULPPK-UHFFFAOYSA-N
XLogP0.60
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylphenyl)butane-1,2,4-triol
CID 171873101
1-(2,5-difluorophenyl)butane-1,2,4-triol
CID 171871871
1-(3,5-difluoro-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872261
1-(4-chloro-3-fluorophenyl)butane-1,2,4-triol
CID 171871880
1-[4-fluoro-3-(hydroxymethyl)phenyl]butane-1,2,4-triol
CID 171872202
1-(3-amino-4-fluorophenyl)butane-1,2,4-triol
CID 171872014
1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol
CID 171871784
1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol
CID 171871828
1-(2,4,6-trifluorophenyl)butane-1,2,4-triol
CID 171872119
1-(3,4-difluoro-5-hydroxyphenyl)butane-1,2,4-triol
CID 171872253
1-pyrimidin-5-ylbutane-1,2,4-triol
CID 171871701
2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 86346411

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)butane-1,2,4-triol?
The IUPAC name of 1-(4-fluorophenyl)butane-1,2,4-triol (CID 171871723) is 1-(4-fluorophenyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(4-fluorophenyl)butane-1,2,4-triol?
The canonical SMILES for 1-(4-fluorophenyl)butane-1,2,4-triol is OCCC(O)C(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)butane-1,2,4-triol?
The InChIKey is KICRNPXIUULPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3/c11-8-3-1-7(2-4-8)10(14)9(13)5-6-12/h1-4,9-10,12-14H,5-6H2.
What are the key properties of 1-(4-fluorophenyl)butane-1,2,4-triol?
1-(4-fluorophenyl)butane-1,2,4-triol has a molecular weight of 200.21 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)butane-1,2,4-triol is sourced from PubChem (CID 171871723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).