(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol

C16H17FO2 — CID 55247059

IUPAC(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCc2cccc(F)c2)c1
InChIInChI=1S/C16H17FO2/c1-11-6-7-15(12(2)18)16(8-11)19-10-13-4-3-5-14(17)9-13/h3-9,12,18H,10H2,1-2H3/t12-/m0/s1
InChIKeyZUDNBNLDDCBGAV-LBPRGKRZSA-N
MW260.31 g/mol
LogP3.77
Rot. Bonds4

About (1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol

(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol (PubChem CID 55247059) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is (1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol
PubChem CID55247059
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCc2cccc(F)c2)c1
InChIInChI=1S/C16H17FO2/c1-11-6-7-15(12(2)18)16(8-11)19-10-13-4-3-5-14(17)9-13/h3-9,12,18H,10H2,1-2H3/t12-/m0/s1
InChIKeyZUDNBNLDDCBGAV-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-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol
CID 63651626
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 82919064
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 78932617
3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]benzonitrile
CID 78947136
1-[2-[(3-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43504983
(1R)-1-[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 82001197
(1S)-1-[2-[(3,5-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 105404171
(1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 78934193
(1R)-1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931656
2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 28533453
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 114930534

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol (CID 55247059) is (1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol is Cc1ccc([C@H](C)O)c(OCc2cccc(F)c2)c1.
What is the InChIKey of (1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol?
The InChIKey is ZUDNBNLDDCBGAV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17FO2/c1-11-6-7-15(12(2)18)16(8-11)19-10-13-4-3-5-14(17)9-13/h3-9,12,18H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol?
(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]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-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol is sourced from PubChem (CID 55247059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).