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

C16H17FO2 — CID 55147459

IUPAC1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccccc1COc1cc(F)ccc1C(C)O
InChIInChI=1S/C16H17FO2/c1-11-5-3-4-6-13(11)10-19-16-9-14(17)7-8-15(16)12(2)18/h3-9,12,18H,10H2,1-2H3
InChIKeyBCIDHEGKIROTPB-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.77
Rot. Bonds4

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

1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol (PubChem CID 55147459) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
PubChem CID55147459
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccccc1COc1cc(F)ccc1C(C)O
InChIInChI=1S/C16H17FO2/c1-11-5-3-4-6-13(11)10-19-16-9-14(17)7-8-15(16)12(2)18/h3-9,12,18H,10H2,1-2H3
InChIKeyBCIDHEGKIROTPB-UHFFFAOYSA-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

(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 78931579
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 103954698
(1S)-1-[4-fluoro-2-[(2-nitrophenyl)methoxy]phenyl]ethanol
CID 63366105
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 114930534
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 78932617
(1S)-1-[4-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78932180
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567
1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 55148614
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 63364801
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 102948307

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol (CID 55147459) is 1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol is Cc1ccccc1COc1cc(F)ccc1C(C)O.
What is the InChIKey of 1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol?
The InChIKey is BCIDHEGKIROTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-11-5-3-4-6-13(11)10-19-16-9-14(17)7-8-15(16)12(2)18/h3-9,12,18H,10H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol?
1-[4-fluoro-2-[(2-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 1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 55147459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).