3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane

C22H25FO2 — CID 123163022

IUPAC3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane
SMILESCc1cc(OCC2CCOC2)cc(C)c1-c1ccc(F)c2c1CCC2
InChIInChI=1S/C22H25FO2/c1-14-10-17(25-13-16-8-9-24-12-16)11-15(2)22(14)20-6-7-21(23)19-5-3-4-18(19)20/h6-7,10-11,16H,3-5,8-9,12-13H2,1-2H3
InChIKeyLWZCINGYBPZZMM-UHFFFAOYSA-N
MW340.44 g/mol
LogP5.01
Rot. Bonds4

About 3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane

3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane (PubChem CID 123163022) has the molecular formula C22H25FO2 and a molecular weight of 340.44 g/mol. Its IUPAC name is 3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane.

Molecular Properties

Compound Name3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane
PubChem CID123163022
Molecular FormulaC22H25FO2
Molecular Weight340.44 g/mol
Exact Mass340.18
IUPAC Name3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane
SMILESCc1cc(OCC2CCOC2)cc(C)c1-c1ccc(F)c2c1CCC2
InChIInChI=1S/C22H25FO2/c1-14-10-17(25-13-16-8-9-24-12-16)11-15(2)22(14)20-6-7-21(23)19-5-3-4-18(19)20/h6-7,10-11,16H,3-5,8-9,12-13H2,1-2H3
InChIKeyLWZCINGYBPZZMM-UHFFFAOYSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.44
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane
CID 145271823
trans-ethyl (1S,2S)-2-[4-[[(1R)-4-[2,6-dimethyl-4-(oxolan-3-ylmethoxy)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylate
CID 126626895
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
2-methyl-4-(oxolan-3-ylmethoxy)aniline
CID 61313415
trifluoro-[2-methyl-4-(oxolan-3-ylmethoxy)phenyl]boranuide
CID 83134930
1-[(1S,2S)-2-[5-[[(1R)-4-[2,6-dimethyl-4-(oxan-4-ylmethoxy)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]cyclopropyl]ethanone
CID 158412597
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene
CID 126702250
[3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 79886568
3-[(4-iodophenoxy)methyl]oxolane
CID 60772514
4-methyl-3-(oxolan-3-ylmethoxy)benzoic acid
CID 61379995
(1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol
CID 78932077

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane?
The IUPAC name of 3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane (CID 123163022) is 3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane.
What is the SMILES notation for 3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane?
The canonical SMILES for 3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane is Cc1cc(OCC2CCOC2)cc(C)c1-c1ccc(F)c2c1CCC2.
What is the InChIKey of 3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane?
The InChIKey is LWZCINGYBPZZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FO2/c1-14-10-17(25-13-16-8-9-24-12-16)11-15(2)22(14)20-6-7-21(23)19-5-3-4-18(19)20/h6-7,10-11,16H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of 3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane?
3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane has a molecular weight of 340.44 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane is sourced from PubChem (CID 123163022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).