(1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol

C14H19FO3 — CID 107719943

IUPAC(1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCC2CCCCO2)cc1F
InChIInChI=1S/C14H19FO3/c1-10(16)13-6-5-11(8-14(13)15)18-9-12-4-2-3-7-17-12/h5-6,8,10,12,16H,2-4,7,9H2,1H3/t10-,12?/m1/s1
InChIKeyJMEPUKMNUAVAIF-RWANSRKNSA-N
MW254.30 g/mol
LogP2.83
Rot. Bonds4

About (1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol

(1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol (PubChem CID 107719943) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol
PubChem CID107719943
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name(1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCC2CCCCO2)cc1F
InChIInChI=1S/C14H19FO3/c1-10(16)13-6-5-11(8-14(13)15)18-9-12-4-2-3-7-17-12/h5-6,8,10,12,16H,2-4,7,9H2,1H3/t10-,12?/m1/s1
InChIKeyJMEPUKMNUAVAIF-RWANSRKNSA-N
XLogP2.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-fluoro-2-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63365868
2-[(4-chloro-3-fluorophenoxy)methyl]oxane
CID 82705903
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
(1R)-1-[1-(oxan-2-ylmethoxy)naphthalen-2-yl]ethanol
CID 78933863
(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 78947367
(1R)-1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 107718599
3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 65202481
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
3-[2-methyl-4-(oxan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 83134156
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
2-[(7-propan-2-ylnaphthalen-2-yl)oxymethyl]oxolane
CID 90144658

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol (CID 107719943) is (1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol is C[C@@H](O)c1ccc(OCC2CCCCO2)cc1F.
What is the InChIKey of (1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol?
The InChIKey is JMEPUKMNUAVAIF-RWANSRKNSA-N. The full InChI is InChI=1S/C14H19FO3/c1-10(16)13-6-5-11(8-14(13)15)18-9-12-4-2-3-7-17-12/h5-6,8,10,12,16H,2-4,7,9H2,1H3/t10-,12?/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol?
(1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol has a molecular weight of 254.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 107719943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).