4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane

C21H25FO3 — CID 67798074

IUPAC4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane
SMILESCCOC1(c2cc(F)cc(OCc3ccccc3)c2)CCOC(C)C1
InChIInChI=1S/C21H25FO3/c1-3-25-21(9-10-23-16(2)14-21)18-11-19(22)13-20(12-18)24-15-17-7-5-4-6-8-17/h4-8,11-13,16H,3,9-10,14-15H2,1-2H3
InChIKeyBQENGYBCYFLPAS-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.84
Rot. Bonds6

About 4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane

4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane (PubChem CID 67798074) has the molecular formula C21H25FO3 and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane.

Molecular Properties

Compound Name4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane
PubChem CID67798074
Molecular FormulaC21H25FO3
Molecular Weight344.43 g/mol
Exact Mass344.18
IUPAC Name4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane
SMILESCCOC1(c2cc(F)cc(OCc3ccccc3)c2)CCOC(C)C1
InChIInChI=1S/C21H25FO3/c1-3-25-21(9-10-23-16(2)14-21)18-11-19(22)13-20(12-18)24-15-17-7-5-4-6-8-17/h4-8,11-13,16H,3,9-10,14-15H2,1-2H3
InChIKeyBQENGYBCYFLPAS-UHFFFAOYSA-N
XLogP4.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-4-[3-fluoro-5-(3-phenylprop-2-ynoxy)phenyl]-4-methoxy-2-methyloxane
CID 67799025
6-[[3-(4-ethoxyoxan-4-yl)-5-fluorophenoxy]methyl]-1-methylquinoline-2-thione
CID 87336405
2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole
CID 18920205
1-[3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole
CID 18920194
N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide
CID 70104515
6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-1-ium;methyl sulfate
CID 11005515
1-fluoro-3-(methoxymethyl)-5-phenylmethoxybenzene
CID 118070659
3-cyclobutyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-1-methylurea
CID 10275147
6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-3-methyl-1,3-benzothiazol-2-one
CID 14985922
1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-3-[1-(hydroxymethyl)cyclopentyl]-1-methylurea
CID 10163215
1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-1-methyl-3-pentylurea
CID 70104480
1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-3-(2-methoxyethyl)-1-methyl-3-propan-2-ylurea
CID 70120567

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane?
The IUPAC name of 4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane (CID 67798074) is 4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane.
What is the SMILES notation for 4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane?
The canonical SMILES for 4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane is CCOC1(c2cc(F)cc(OCc3ccccc3)c2)CCOC(C)C1.
What is the InChIKey of 4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane?
The InChIKey is BQENGYBCYFLPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FO3/c1-3-25-21(9-10-23-16(2)14-21)18-11-19(22)13-20(12-18)24-15-17-7-5-4-6-8-17/h4-8,11-13,16H,3,9-10,14-15H2,1-2H3.
What are the key properties of 4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane?
4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane has a molecular weight of 344.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-(3-fluoro-5-phenylmethoxyphenyl)-2-methyloxane is sourced from PubChem (CID 67798074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).