1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol

C16H16F2O3 — CID 104792501

IUPAC1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1cccc(COc2ccc(F)cc2C(C)O)c1F
InChIInChI=1S/C16H16F2O3/c1-10(19)13-8-12(17)6-7-14(13)21-9-11-4-3-5-15(20-2)16(11)18/h3-8,10,19H,9H2,1-2H3
InChIKeyWHKNMINVCXVVOB-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.61
Rot. Bonds5

About 1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol

1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol (PubChem CID 104792501) has the molecular formula C16H16F2O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol
PubChem CID104792501
Molecular FormulaC16H16F2O3
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1cccc(COc2ccc(F)cc2C(C)O)c1F
InChIInChI=1S/C16H16F2O3/c1-10(19)13-8-12(17)6-7-14(13)21-9-11-4-3-5-15(20-2)16(11)18/h3-8,10,19H,9H2,1-2H3
InChIKeyWHKNMINVCXVVOB-UHFFFAOYSA-N
XLogP3.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
CID 102616518
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 102877123
(1S)-1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 102877125
(1R)-1-[2-[(2-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 63366482
1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 104791282
(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 102856296
1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 102856269
1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102616484
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol
CID 104792506
(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
CID 103954685

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol (CID 104792501) is 1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol is COc1cccc(COc2ccc(F)cc2C(C)O)c1F.
What is the InChIKey of 1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol?
The InChIKey is WHKNMINVCXVVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O3/c1-10(19)13-8-12(17)6-7-14(13)21-9-11-4-3-5-15(20-2)16(11)18/h3-8,10,19H,9H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol?
1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol has a molecular weight of 294.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 104792501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).