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

C17H19FO3 — CID 107720305

IUPAC(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
SMILESCOc1ccc(CCOc2ccc([C@H](C)O)c(F)c2)cc1
InChIInChI=1S/C17H19FO3/c1-12(19)16-8-7-15(11-17(16)18)21-10-9-13-3-5-14(20-2)6-4-13/h3-8,11-12,19H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyHOBRCJJNUUTNDT-LBPRGKRZSA-N
MW290.33 g/mol
LogP3.51
Rot. Bonds6

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

(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol (PubChem CID 107720305) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
PubChem CID107720305
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
SMILESCOc1ccc(CCOc2ccc([C@H](C)O)c(F)c2)cc1
InChIInChI=1S/C17H19FO3/c1-12(19)16-8-7-15(11-17(16)18)21-10-9-13-3-5-14(20-2)6-4-13/h3-8,11-12,19H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyHOBRCJJNUUTNDT-LBPRGKRZSA-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

Analyze (1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446390
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-chloro-2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]benzene
CID 82727338
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
(1R)-1-[2-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720216
1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446198
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
CID 107720300
1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
CID 107719528
(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol
CID 107719914
(1R)-1-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 107720301
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol (CID 107720305) is (1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol is COc1ccc(CCOc2ccc([C@H](C)O)c(F)c2)cc1.
What is the InChIKey of (1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
The InChIKey is HOBRCJJNUUTNDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FO3/c1-12(19)16-8-7-15(11-17(16)18)21-10-9-13-3-5-14(20-2)6-4-13/h3-8,11-12,19H,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol?
(1S)-1-[2-fluoro-4-[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 (1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 107720305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).