1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol

C14H18F2O2 — CID 114224199

IUPAC1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccccc1OCC1CCC(F)(F)C1
InChIInChI=1S/C14H18F2O2/c1-10(17)12-4-2-3-5-13(12)18-9-11-6-7-14(15,16)8-11/h2-5,10-11,17H,6-9H2,1H3
InChIKeyHKHIQTAGIWLZAF-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.55
Rot. Bonds4

About 1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol

1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol (PubChem CID 114224199) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol
PubChem CID114224199
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccccc1OCC1CCC(F)(F)C1
InChIInChI=1S/C14H18F2O2/c1-10(17)12-4-2-3-5-13(12)18-9-11-6-7-14(15,16)8-11/h2-5,10-11,17H,6-9H2,1H3
InChIKeyHKHIQTAGIWLZAF-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene
CID 114225343
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]ethanol
CID 79552161
1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898614
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene
CID 166839557
1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
CID 65459898
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
1-(2-propoxyphenyl)ethanol
CID 43503976
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene
CID 141432461
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol (CID 114224199) is 1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol is CC(O)c1ccccc1OCC1CCC(F)(F)C1.
What is the InChIKey of 1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol?
The InChIKey is HKHIQTAGIWLZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c1-10(17)12-4-2-3-5-13(12)18-9-11-6-7-14(15,16)8-11/h2-5,10-11,17H,6-9H2,1H3.
What are the key properties of 1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol?
1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol has a molecular weight of 256.29 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 114224199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).