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

C17H19FO3 — CID 65446390

IUPAC1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
SMILESCOc1ccc(CCOc2cc(F)ccc2C(C)O)cc1
InChIInChI=1S/C17H19FO3/c1-12(19)16-8-5-14(18)11-17(16)21-10-9-13-3-6-15(20-2)7-4-13/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyPMZZPQLKYNPDAI-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.51
Rot. Bonds6

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

1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol (PubChem CID 65446390) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
PubChem CID65446390
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
SMILESCOc1ccc(CCOc2cc(F)ccc2C(C)O)cc1
InChIInChI=1S/C17H19FO3/c1-12(19)16-8-5-14(18)11-17(16)21-10-9-13-3-6-15(20-2)7-4-13/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyPMZZPQLKYNPDAI-UHFFFAOYSA-N
XLogP3.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65447336
(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107720305
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline
CID 65431768
1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol
CID 65445812
(1S)-1-[5-bromo-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 79007137
1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446198
[5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid
CID 65445261
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63366184
(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63366101

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
The IUPAC name of 1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol (CID 65446390) is 1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol is COc1ccc(CCOc2cc(F)ccc2C(C)O)cc1.
What is the InChIKey of 1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
The InChIKey is PMZZPQLKYNPDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO3/c1-12(19)16-8-5-14(18)11-17(16)21-10-9-13-3-6-15(20-2)7-4-13/h3-8,11-12,19H,9-10H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol has a molecular weight of 290.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 65446390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).