2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol

C11H12F2O3 — CID 147972497

IUPAC2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol
SMILESOc1ccc(OCC2CCCO2)c(F)c1F
InChIInChI=1S/C11H12F2O3/c12-10-8(14)3-4-9(11(10)13)16-6-7-2-1-5-15-7/h3-4,7,14H,1-2,5-6H2
InChIKeyIRPVROXDAJYQNS-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.23
Rot. Bonds3

About 2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol

2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol (PubChem CID 147972497) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol.

Molecular Properties

Compound Name2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol
PubChem CID147972497
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol
SMILESOc1ccc(OCC2CCCO2)c(F)c1F
InChIInChI=1S/C11H12F2O3/c12-10-8(14)3-4-9(11(10)13)16-6-7-2-1-5-15-7/h3-4,7,14H,1-2,5-6H2
InChIKeyIRPVROXDAJYQNS-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride
CID 161179637
2-amino-3-(oxan-2-ylmethoxy)phenol
CID 114764427
3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde
CID 43826140
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
2-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]oxolane
CID 63320630
5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
CID 26189643
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676632
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
2-chloro-N'-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]ethanimidamide
CID 169367930

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol?
The IUPAC name of 2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol (CID 147972497) is 2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol.
What is the SMILES notation for 2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol?
The canonical SMILES for 2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol is Oc1ccc(OCC2CCCO2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol?
The InChIKey is IRPVROXDAJYQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c12-10-8(14)3-4-9(11(10)13)16-6-7-2-1-5-15-7/h3-4,7,14H,1-2,5-6H2.
What are the key properties of 2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol?
2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol has a molecular weight of 230.21 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol is sourced from PubChem (CID 147972497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).