1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol

C16H17FO3 — CID 115582214

IUPAC1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1ccc(COc2ccc(C(C)O)cc2F)cc1
InChIInChI=1S/C16H17FO3/c1-11(18)13-5-8-16(15(17)9-13)20-10-12-3-6-14(19-2)7-4-12/h3-9,11,18H,10H2,1-2H3
InChIKeySKERXZVKGXKZJM-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.47
Rot. Bonds5

About 1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol

1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol (PubChem CID 115582214) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
PubChem CID115582214
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
SMILESCOc1ccc(COc2ccc(C(C)O)cc2F)cc1
InChIInChI=1S/C16H17FO3/c1-11(18)13-5-8-16(15(17)9-13)20-10-12-3-6-14(19-2)7-4-12/h3-9,11,18H,10H2,1-2H3
InChIKeySKERXZVKGXKZJM-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
1-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43503631
(1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol
CID 107882473
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
(1R)-1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881645
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 113389598
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144
(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol (CID 115582214) is 1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol is COc1ccc(COc2ccc(C(C)O)cc2F)cc1.
What is the InChIKey of 1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol?
The InChIKey is SKERXZVKGXKZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-11(18)13-5-8-16(15(17)9-13)20-10-12-3-6-14(19-2)7-4-12/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol?
1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol has a molecular weight of 276.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 115582214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).