1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol

C19H23FO4 — CID 159194222

IUPAC1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(Cc2ccc(OCC(O)CF)cc2)cc1
InChIInChI=1S/C19H23FO4/c1-14(21)12-23-18-6-2-15(3-7-18)10-16-4-8-19(9-5-16)24-13-17(22)11-20/h2-9,14,17,21-22H,10-13H2,1H3
InChIKeyKBNAGWAKCIUFEW-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.75
Rot. Bonds9

About 1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol

1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol (PubChem CID 159194222) has the molecular formula C19H23FO4 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
PubChem CID159194222
Molecular FormulaC19H23FO4
Molecular Weight334.39 g/mol
Exact Mass334.16
IUPAC Name1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(Cc2ccc(OCC(O)CF)cc2)cc1
InChIInChI=1S/C19H23FO4/c1-14(21)12-23-18-6-2-15(3-7-18)10-16-4-8-19(9-5-16)24-13-17(22)11-20/h2-9,14,17,21-22H,10-13H2,1H3
InChIKeyKBNAGWAKCIUFEW-UHFFFAOYSA-N
XLogP2.75
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol 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

1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159356219
1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten
CID 160707756
1-[4-[[4-(2-hydroxybutoxy)phenyl]methyl]phenoxy]butan-2-ol
CID 59871731
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol
CID 123594321
1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one
CID 68789075
3-[4-[[4-(3-hydroxy-2-methylpropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
CID 70897892
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
(2S)-1-amino-3-[4-[[4-[(2S)-3-amino-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 34178474
1-[4-[[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]butan-2-ol;ethane
CID 143919870
1-[4-[(4-pent-4-ynoxyphenyl)methyl]phenoxy]propan-2-ol
CID 159897530
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol (CID 159194222) is 1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol is CC(O)COc1ccc(Cc2ccc(OCC(O)CF)cc2)cc1.
What is the InChIKey of 1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol?
The InChIKey is KBNAGWAKCIUFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO4/c1-14(21)12-23-18-6-2-15(3-7-18)10-16-4-8-19(9-5-16)24-13-17(22)11-20/h2-9,14,17,21-22H,10-13H2,1H3.
What are the key properties of 1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol?
1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol has a molecular weight of 334.39 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 159194222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).