(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol

C16H16F2O2 — CID 104984970

IUPAC(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
SMILESCc1ccc(OCc2c(F)cccc2F)c([C@H](C)O)c1
InChIInChI=1S/C16H16F2O2/c1-10-6-7-16(12(8-10)11(2)19)20-9-13-14(17)4-3-5-15(13)18/h3-8,11,19H,9H2,1-2H3/t11-/m0/s1
InChIKeyPPUJMFRPNUWLMU-NSHDSACASA-N
MW278.30 g/mol
LogP3.91
Rot. Bonds4

About (1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol

(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol (PubChem CID 104984970) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is (1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
PubChem CID104984970
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
SMILESCc1ccc(OCc2c(F)cccc2F)c([C@H](C)O)c1
InChIInChI=1S/C16H16F2O2/c1-10-6-7-16(12(8-10)11(2)19)20-9-13-14(17)4-3-5-15(13)18/h3-8,11,19H,9H2,1-2H3/t11-/m0/s1
InChIKeyPPUJMFRPNUWLMU-NSHDSACASA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333
(1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 106264403
(1S)-1-[2-[(3,5-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 105404171
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 114930534
(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 102856296
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 79267455
(1S)-1-[2-[(2-fluoro-4-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 102877108
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
CID 60923086
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methylphenyl]ethanol
CID 43505265

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol (CID 104984970) is (1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol is Cc1ccc(OCc2c(F)cccc2F)c([C@H](C)O)c1.
What is the InChIKey of (1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol?
The InChIKey is PPUJMFRPNUWLMU-NSHDSACASA-N. The full InChI is InChI=1S/C16H16F2O2/c1-10-6-7-16(12(8-10)11(2)19)20-9-13-14(17)4-3-5-15(13)18/h3-8,11,19H,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol?
(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol has a molecular weight of 278.30 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol is sourced from PubChem (CID 104984970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).