(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol

C16H17FO2 — CID 78932617

IUPAC(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(COc2cc(F)ccc2[C@H](C)O)cc1
InChIInChI=1S/C16H17FO2/c1-11-3-5-13(6-4-11)10-19-16-9-14(17)7-8-15(16)12(2)18/h3-9,12,18H,10H2,1-2H3/t12-/m0/s1
InChIKeyREDFYPPFVALRNB-LBPRGKRZSA-N
MW260.31 g/mol
LogP3.77
Rot. Bonds4

About (1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol

(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol (PubChem CID 78932617) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is (1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
PubChem CID78932617
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(COc2cc(F)ccc2[C@H](C)O)cc1
InChIInChI=1S/C16H17FO2/c1-11-3-5-13(6-4-11)10-19-16-9-14(17)7-8-15(16)12(2)18/h3-9,12,18H,10H2,1-2H3/t12-/m0/s1
InChIKeyREDFYPPFVALRNB-LBPRGKRZSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 55247059
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 82919064
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 55147459
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 114930534
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 55148614
4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882157
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol (CID 78932617) is (1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol is Cc1ccc(COc2cc(F)ccc2[C@H](C)O)cc1.
What is the InChIKey of (1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol?
The InChIKey is REDFYPPFVALRNB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17FO2/c1-11-3-5-13(6-4-11)10-19-16-9-14(17)7-8-15(16)12(2)18/h3-9,12,18H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol?
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol has a molecular weight of 260.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78932617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).