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

C23H28O2 — CID 145271823

IUPAC4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane
SMILESCc1cc(OCC2CCOCC2)cc(C)c1-c1cccc2c1CCC2
InChIInChI=1S/C23H28O2/c1-16-13-20(25-15-18-9-11-24-12-10-18)14-17(2)23(16)22-8-4-6-19-5-3-7-21(19)22/h4,6,8,13-14,18H,3,5,7,9-12,15H2,1-2H3
InChIKeyVSNZCJFWKCUCJD-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.26
Rot. Bonds4

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

4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane (PubChem CID 145271823) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane.

Molecular Properties

Compound Name4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane
PubChem CID145271823
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane
SMILESCc1cc(OCC2CCOCC2)cc(C)c1-c1cccc2c1CCC2
InChIInChI=1S/C23H28O2/c1-16-13-20(25-15-18-9-11-24-12-10-18)14-17(2)23(16)22-8-4-6-19-5-3-7-21(19)22/h4,6,8,13-14,18H,3,5,7,9-12,15H2,1-2H3
InChIKeyVSNZCJFWKCUCJD-UHFFFAOYSA-N
XLogP5.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane
CID 123163022
2-[5-[2-[3-[2,6-dimethyl-4-(oxan-4-ylmethoxy)phenyl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetic acid
CID 58083055
2-methyl-4-(oxan-4-ylmethoxy)benzoic acid
CID 81282466
8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076793
1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 142795569
2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 62387152
2-[6-[[3-[2,6-dimethyl-4-(oxan-4-ylmethoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 118051808
13-[(1,1-dioxothian-4-yl)methoxy]-15-methyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carbaldehyde
CID 118629929
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
2-methyl-4-(oxolan-3-ylmethoxy)aniline
CID 61313415
4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]oxane
CID 129035173
4-(4-methyl-2,3-dihydro-1H-inden-5-yl)oxane
CID 156857522

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane?
The IUPAC name of 4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane (CID 145271823) is 4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane.
What is the SMILES notation for 4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane?
The canonical SMILES for 4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane is Cc1cc(OCC2CCOCC2)cc(C)c1-c1cccc2c1CCC2.
What is the InChIKey of 4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane?
The InChIKey is VSNZCJFWKCUCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-16-13-20(25-15-18-9-11-24-12-10-18)14-17(2)23(16)22-8-4-6-19-5-3-7-21(19)22/h4,6,8,13-14,18H,3,5,7,9-12,15H2,1-2H3.
What are the key properties of 4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane?
4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane has a molecular weight of 336.48 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxane is sourced from PubChem (CID 145271823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).