4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol

C22H23FN2O3 — CID 11164952

IUPAC4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol
SMILESCc1nccn1-c1ccc(COc2cc(F)cc(C3(O)CCOCC3)c2)cc1
InChIInChI=1S/C22H23FN2O3/c1-16-24-8-9-25(16)20-4-2-17(3-5-20)15-28-21-13-18(12-19(23)14-21)22(26)6-10-27-11-7-22/h2-5,8-9,12-14,26H,6-7,10-11,15H2,1H3
InChIKeyIDBMKDAQFMIOTO-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.90
Rot. Bonds5

About 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol

4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol (PubChem CID 11164952) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol.

Molecular Properties

Compound Name4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol
PubChem CID11164952
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol
SMILESCc1nccn1-c1ccc(COc2cc(F)cc(C3(O)CCOCC3)c2)cc1
InChIInChI=1S/C22H23FN2O3/c1-16-24-8-9-25(16)20-4-2-17(3-5-20)15-28-21-13-18(12-19(23)14-21)22(26)6-10-27-11-7-22/h2-5,8-9,12-14,26H,6-7,10-11,15H2,1H3
InChIKeyIDBMKDAQFMIOTO-UHFFFAOYSA-N
XLogP3.90
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-fluoro-3-(4-(2-methyl-1H-imidazol-1-yl)benzyloxy)phenyl)-4-methoxy-3,4,5,6-tetrahydro-2H-pyran
CID 10386055
CJ-13454
CID 9931329
1-(4-{3-Fluoro-5-[4-(2-methyl-imidazol-1-yl)-benzyloxy]-phenyl}-tetrahydro-pyran-4-yl)-ethanone
CID 11269805
1-{4-[3-Fluoro-5-(4-methylsulfanyl-tetrahydro-pyran-4-yl)-phenoxymethyl]-phenyl}-2-methyl-1H-imidazole
CID 11269914
4-{3-Fluoro-5-[4-(2-methyl-imidazol-1-yl)-benzyloxy]-phenyl}-tetrahydro-pyran-4-carboxylic acid ethyl ester
CID 11339601
4-{3-Fluoro-5-[4-(2-methyl-imidazol-1-yl)-benzyloxy]-phenyl}-tetrahydro-pyran-4-carboxylic acid methylamide
CID 11487048
N,N-Dimethyl-4-[5-fluoro-3-[4-(2-methylimidazol-1-yl)benzyloxy]phenyl]-3,4,5,6-tetrahydro-2H-pyran-4-carboxamide
CID 11774961
4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenol
CID 134179819
1-{4-[3-(4-Ethoxy-tetrahydro-pyran-4-yl)-5-fluoro-phenoxymethyl]-phenyl}-2-methyl-1H-imidazole
CID 11350397
[3-(4-Fluorophenyl)-8-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-[1,2,4]oxadiazolo[4,3-d][1,4]oxazepin-3-yl]methanol
CID 156018644
4-(3-Fluoro-5-((4-(2-methyl-1H-imidazol-1-YL)benzyl)oxy)phenyl)tetrahydro-2H-pyran-4-carboxylic acid
CID 11315837
6-(2-Fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179847

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol?
The IUPAC name of 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol (CID 11164952) is 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol.
What is the SMILES notation for 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol?
The canonical SMILES for 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol is Cc1nccn1-c1ccc(COc2cc(F)cc(C3(O)CCOCC3)c2)cc1.
What is the InChIKey of 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol?
The InChIKey is IDBMKDAQFMIOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-16-24-8-9-25(16)20-4-2-17(3-5-20)15-28-21-13-18(12-19(23)14-21)22(26)6-10-27-11-7-22/h2-5,8-9,12-14,26H,6-7,10-11,15H2,1H3.
What are the key properties of 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol?
4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol has a molecular weight of 382.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-ol is sourced from PubChem (CID 11164952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).