2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane

C25H25FO2 — CID 121367963

IUPAC2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane
SMILESCc1ccc(-c2cc(F)c(-c3ccc(OC4CCCCO4)cc3)cc2C)cc1
InChIInChI=1S/C25H25FO2/c1-17-6-8-19(9-7-17)22-16-24(26)23(15-18(22)2)20-10-12-21(13-11-20)28-25-5-3-4-14-27-25/h6-13,15-16,25H,3-5,14H2,1-2H3
InChIKeyNDEVHSAUOJEIJO-UHFFFAOYSA-N
MW376.47 g/mol
LogP6.68
Rot. Bonds4

About 2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane

2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane (PubChem CID 121367963) has the molecular formula C25H25FO2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane.

Molecular Properties

Compound Name2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane
PubChem CID121367963
Molecular FormulaC25H25FO2
Molecular Weight376.47 g/mol
Exact Mass376.18
IUPAC Name2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane
SMILESCc1ccc(-c2cc(F)c(-c3ccc(OC4CCCCO4)cc3)cc2C)cc1
InChIInChI=1S/C25H25FO2/c1-17-6-8-19(9-7-17)22-16-24(26)23(15-18(22)2)20-10-12-21(13-11-20)28-25-5-3-4-14-27-25/h6-13,15-16,25H,3-5,14H2,1-2H3
InChIKeyNDEVHSAUOJEIJO-UHFFFAOYSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-4-[4-(oxan-2-yloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 121338852
2-(3,4-dimethylphenoxy)oxane
CID 10987441
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
2-(2,4-dimethyl-6-phenylphenoxy)oxane
CID 159035357
2-(2,5-dimethylphenoxy)oxane
CID 15305690
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
2-[4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenoxy]oxane
CID 137435689
4-(oxan-2-yloxy)phenol
CID 11745519
CID 168763543
CID 168763543
2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane
CID 67790428
2-(4-methoxyphenoxy)oxolane
CID 135060561
4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol
CID 170406702

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane?
The IUPAC name of 2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane (CID 121367963) is 2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane.
What is the SMILES notation for 2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane?
The canonical SMILES for 2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane is Cc1ccc(-c2cc(F)c(-c3ccc(OC4CCCCO4)cc3)cc2C)cc1.
What is the InChIKey of 2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane?
The InChIKey is NDEVHSAUOJEIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FO2/c1-17-6-8-19(9-7-17)22-16-24(26)23(15-18(22)2)20-10-12-21(13-11-20)28-25-5-3-4-14-27-25/h6-13,15-16,25H,3-5,14H2,1-2H3.
What are the key properties of 2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane?
2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane has a molecular weight of 376.47 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]phenoxy]oxane is sourced from PubChem (CID 121367963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).