1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol

C16H16F2O3 — CID 102877123

IUPAC1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1ccc(COc2ccc(F)cc2C(C)O)c(F)c1
InChIInChI=1S/C16H16F2O3/c1-10(19)14-7-12(17)4-6-16(14)21-9-11-3-5-13(20-2)8-15(11)18/h3-8,10,19H,9H2,1-2H3
InChIKeyDDDKAMRNDVCOOI-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.61
Rot. Bonds5

About 1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol

1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol (PubChem CID 102877123) has the molecular formula C16H16F2O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
PubChem CID102877123
Molecular FormulaC16H16F2O3
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1ccc(COc2ccc(F)cc2C(C)O)c(F)c1
InChIInChI=1S/C16H16F2O3/c1-10(19)14-7-12(17)4-6-16(14)21-9-11-3-5-13(20-2)8-15(11)18/h3-8,10,19H,9H2,1-2H3
InChIKeyDDDKAMRNDVCOOI-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

(1S)-1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 102877125
(1S)-1-[2-[(2-fluoro-4-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 102877108
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol
CID 104792501
(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002835
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182
(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
CID 102616518
2-[(2-fluoro-4-methoxyphenyl)methoxy]phenol
CID 102877217
(1R)-1-[5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82888691
(1S)-1-[5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82888692
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol (CID 102877123) is 1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol is COc1ccc(COc2ccc(F)cc2C(C)O)c(F)c1.
What is the InChIKey of 1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol?
The InChIKey is DDDKAMRNDVCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O3/c1-10(19)14-7-12(17)4-6-16(14)21-9-11-3-5-13(20-2)8-15(11)18/h3-8,10,19H,9H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol?
1-[5-fluoro-2-[(2-fluoro-4-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-4-methoxyphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102877123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).