4-(3-fluorophenoxy)butane-1,3-diol

C10H13FO3 — CID 117236747

IUPAC4-(3-fluorophenoxy)butane-1,3-diol
SMILESOCCC(O)COc1cccc(F)c1
InChIInChI=1S/C10H13FO3/c11-8-2-1-3-10(6-8)14-7-9(13)4-5-12/h1-3,6,9,12-13H,4-5,7H2
InChIKeyCJXZAPMSBLWOLM-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.95
Rot. Bonds5

About 4-(3-fluorophenoxy)butane-1,3-diol

4-(3-fluorophenoxy)butane-1,3-diol (PubChem CID 117236747) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)butane-1,3-diol.

Molecular Properties

Compound Name4-(3-fluorophenoxy)butane-1,3-diol
PubChem CID117236747
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name4-(3-fluorophenoxy)butane-1,3-diol
SMILESOCCC(O)COc1cccc(F)c1
InChIInChI=1S/C10H13FO3/c11-8-2-1-3-10(6-8)14-7-9(13)4-5-12/h1-3,6,9,12-13H,4-5,7H2
InChIKeyCJXZAPMSBLWOLM-UHFFFAOYSA-N
XLogP0.95
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
1-(2-aminophenoxy)-3-(3-fluorophenoxy)propan-2-ol
CID 62268649
6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
1-(2,6-dimethylmorpholin-4-yl)-3-(3-fluorophenoxy)propan-2-ol
CID 59563430
2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
1-[2-(bromomethyl)-3-methylbutoxy]-3-fluorobenzene
CID 65012281
(2S)-2-[[2-(3-fluorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 114004878
(2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride
CID 70052639
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide
CID 94654317
3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5307270
3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
CID 117243039

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)butane-1,3-diol?
The IUPAC name of 4-(3-fluorophenoxy)butane-1,3-diol (CID 117236747) is 4-(3-fluorophenoxy)butane-1,3-diol.
What is the SMILES notation for 4-(3-fluorophenoxy)butane-1,3-diol?
The canonical SMILES for 4-(3-fluorophenoxy)butane-1,3-diol is OCCC(O)COc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenoxy)butane-1,3-diol?
The InChIKey is CJXZAPMSBLWOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3/c11-8-2-1-3-10(6-8)14-7-9(13)4-5-12/h1-3,6,9,12-13H,4-5,7H2.
What are the key properties of 4-(3-fluorophenoxy)butane-1,3-diol?
4-(3-fluorophenoxy)butane-1,3-diol has a molecular weight of 200.21 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)butane-1,3-diol is sourced from PubChem (CID 117236747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).