2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan

C26H32O2 — CID 59854335

IUPAC2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan
SMILESCCCC(CC(CC)c1ccccc1)c1ccc(COCc2ccco2)cc1
InChIInChI=1S/C26H32O2/c1-3-9-25(18-22(4-2)23-10-6-5-7-11-23)24-15-13-21(14-16-24)19-27-20-26-12-8-17-28-26/h5-8,10-17,22,25H,3-4,9,18-20H2,1-2H3
InChIKeyNBABUONPMBJAJT-UHFFFAOYSA-N
MW376.54 g/mol
LogP7.46
Rot. Bonds11

About 2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan

2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan (PubChem CID 59854335) has the molecular formula C26H32O2 and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan.

Molecular Properties

Compound Name2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan
PubChem CID59854335
Molecular FormulaC26H32O2
Molecular Weight376.54 g/mol
Exact Mass376.24
IUPAC Name2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan
SMILESCCCC(CC(CC)c1ccccc1)c1ccc(COCc2ccco2)cc1
InChIInChI=1S/C26H32O2/c1-3-9-25(18-22(4-2)23-10-6-5-7-11-23)24-15-13-21(14-16-24)19-27-20-26-12-8-17-28-26/h5-8,10-17,22,25H,3-4,9,18-20H2,1-2H3
InChIKeyNBABUONPMBJAJT-UHFFFAOYSA-N
XLogP7.46
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349096
[4-(6-phenyloctan-4-yl)phenyl]methanesulfonic acid
CID 58085482
1,1-diphenylhexan-3-ylbenzene
CID 57087261
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
CID 153439336
[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
CID 119080873
[4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium
CID 176797570
butane;ethane;2-(ethoxymethyl)furan
CID 143895142
1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62306419
4-(furan-2-ylmethoxymethyl)benzenecarbothioamide
CID 24697058
4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
CID 163777364
4-(furan-2-ylmethoxymethyl)-N-propylpyridin-2-amine
CID 62464220
1-[2-(furan-2-ylmethoxy)ethoxy]ethanol
CID 20517706

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan?
The IUPAC name of 2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan (CID 59854335) is 2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan.
What is the SMILES notation for 2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan?
The canonical SMILES for 2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan is CCCC(CC(CC)c1ccccc1)c1ccc(COCc2ccco2)cc1.
What is the InChIKey of 2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan?
The InChIKey is NBABUONPMBJAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O2/c1-3-9-25(18-22(4-2)23-10-6-5-7-11-23)24-15-13-21(14-16-24)19-27-20-26-12-8-17-28-26/h5-8,10-17,22,25H,3-4,9,18-20H2,1-2H3.
What are the key properties of 2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan?
2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan has a molecular weight of 376.54 g/mol, XLogP of 7.46, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-phenyloctan-4-yl)phenyl]methoxymethyl]furan is sourced from PubChem (CID 59854335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).