1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene

C24H25FO3 — CID 3067139

IUPAC1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene
SMILESCOc1ccc(C(C)(C)COCc2cccc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H25FO3/c1-24(2,19-7-11-21(26-3)12-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-9-20(25)10-14-22/h4-15H,16-17H2,1-3H3
InChIKeyRBNLRYHTOMQUJX-UHFFFAOYSA-N
MW380.46 g/mol
LogP6.12
Rot. Bonds8

About 1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene

1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene (PubChem CID 3067139) has the molecular formula C24H25FO3 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene
PubChem CID3067139
Molecular FormulaC24H25FO3
Molecular Weight380.46 g/mol
Exact Mass380.18
IUPAC Name1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene
SMILESCOc1ccc(C(C)(C)COCc2cccc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H25FO3/c1-24(2,19-7-11-21(26-3)12-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-9-20(25)10-14-22/h4-15H,16-17H2,1-3H3
InChIKeyRBNLRYHTOMQUJX-UHFFFAOYSA-N
XLogP6.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene?
The IUPAC name of 1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene (CID 3067139) is 1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene?
The canonical SMILES for 1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene is COc1ccc(C(C)(C)COCc2cccc(Oc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene?
The InChIKey is RBNLRYHTOMQUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO3/c1-24(2,19-7-11-21(26-3)12-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-9-20(25)10-14-22/h4-15H,16-17H2,1-3H3.
What are the key properties of 1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene?
1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene has a molecular weight of 380.46 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene is sourced from PubChem (CID 3067139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).