2-[(2-fluorophenoxy)methyl]butane-1,4-diol

C11H15FO3 — CID 117236856

IUPAC2-[(2-fluorophenoxy)methyl]butane-1,4-diol
SMILESOCCC(CO)COc1ccccc1F
InChIInChI=1S/C11H15FO3/c12-10-3-1-2-4-11(10)15-8-9(7-14)5-6-13/h1-4,9,13-14H,5-8H2
InChIKeyKHDMVSUYQXGMDE-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.20
Rot. Bonds6

About 2-[(2-fluorophenoxy)methyl]butane-1,4-diol

2-[(2-fluorophenoxy)methyl]butane-1,4-diol (PubChem CID 117236856) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]butane-1,4-diol.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]butane-1,4-diol
PubChem CID117236856
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name2-[(2-fluorophenoxy)methyl]butane-1,4-diol
SMILESOCCC(CO)COc1ccccc1F
InChIInChI=1S/C11H15FO3/c12-10-3-1-2-4-11(10)15-8-9(7-14)5-6-13/h1-4,9,13-14H,5-8H2
InChIKeyKHDMVSUYQXGMDE-UHFFFAOYSA-N
XLogP1.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
2-fluoro-3-(2-fluorophenoxy)propan-1-amine
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4-(2-fluorophenoxy)butan-1-ol
CID 43509993
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
CID 45496401
3-(2,3-difluorophenoxy)propane-1,2-diol
CID 79838719
1-(2,4-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412665
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851621
1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
CID 43531496
1-(2,5-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412674
2-(2-fluorophenoxy)-1-(4-fluorophenyl)ethanamine
CID 16784701

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]butane-1,4-diol?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]butane-1,4-diol (CID 117236856) is 2-[(2-fluorophenoxy)methyl]butane-1,4-diol.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]butane-1,4-diol?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]butane-1,4-diol is OCCC(CO)COc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]butane-1,4-diol?
The InChIKey is KHDMVSUYQXGMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c12-10-3-1-2-4-11(10)15-8-9(7-14)5-6-13/h1-4,9,13-14H,5-8H2.
What are the key properties of 2-[(2-fluorophenoxy)methyl]butane-1,4-diol?
2-[(2-fluorophenoxy)methyl]butane-1,4-diol has a molecular weight of 214.24 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenoxy)methyl]butane-1,4-diol is sourced from PubChem (CID 117236856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).