2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene

C38H46O2 — CID 130350859

IUPAC2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene
SMILESCC(C)OCCC(C)(C)Oc1c(C(C)c2ccccc2)cc(C(C)c2ccccc2)cc1C(C)c1ccccc1
InChIInChI=1S/C38H46O2/c1-27(2)39-24-23-38(6,7)40-37-35(29(4)32-19-13-9-14-20-32)25-34(28(3)31-17-11-8-12-18-31)26-36(37)30(5)33-21-15-10-16-22-33/h8-22,25-30H,23-24H2,1-7H3
InChIKeyCZFYTJCZHRIYPU-UHFFFAOYSA-N
MW534.78 g/mol
LogP10.11
Rot. Bonds12

About 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene

2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene (PubChem CID 130350859) has the molecular formula C38H46O2 and a molecular weight of 534.78 g/mol. Its IUPAC name is 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene.

Molecular Properties

Compound Name2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene
PubChem CID130350859
Molecular FormulaC38H46O2
Molecular Weight534.78 g/mol
Exact Mass534.35
IUPAC Name2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene
SMILESCC(C)OCCC(C)(C)Oc1c(C(C)c2ccccc2)cc(C(C)c2ccccc2)cc1C(C)c1ccccc1
InChIInChI=1S/C38H46O2/c1-27(2)39-24-23-38(6,7)40-37-35(29(4)32-19-13-9-14-20-32)25-34(28(3)31-17-11-8-12-18-31)26-36(37)30(5)33-21-15-10-16-22-33/h8-22,25-30H,23-24H2,1-7H3
InChIKeyCZFYTJCZHRIYPU-UHFFFAOYSA-N
XLogP10.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.78
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene with MolForge

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Related Compounds

2,6-dimethyl-6-[3-methyl-3-[2,4,6-tris(1-phenylethyl)phenoxy]butoxy]hept-1-en-3-one
CID 174319383
1-[(2-methylpropan-2-yl)oxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol
CID 138553566
2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene
CID 91087300
2-methylprop-2-enoic acid;1,3,5-tris(1-phenylethyl)-2-[2,4,6-tris(1-phenylethyl)phenoxy]benzene
CID 68867034
[2-methyl-4-[2-[2,4,6-tris(1-phenylethyl)phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 121306738
2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate
CID 22978799
2-[3-methyl-3-[[3-phenyl-5,7-bis(1-phenylethyl)-2,3-dihydro-1H-inden-4-yl]oxy]butoxy]propane-2-sulfonic acid
CID 145126302
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine
CID 106665422
[2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane
CID 158802714
1-ethyl-2,4-bis(1-phenylethyl)benzene
CID 3019817

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene?
The IUPAC name of 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene (CID 130350859) is 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene.
What is the SMILES notation for 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene?
The canonical SMILES for 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene is CC(C)OCCC(C)(C)Oc1c(C(C)c2ccccc2)cc(C(C)c2ccccc2)cc1C(C)c1ccccc1.
What is the InChIKey of 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene?
The InChIKey is CZFYTJCZHRIYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46O2/c1-27(2)39-24-23-38(6,7)40-37-35(29(4)32-19-13-9-14-20-32)25-34(28(3)31-17-11-8-12-18-31)26-36(37)30(5)33-21-15-10-16-22-33/h8-22,25-30H,23-24H2,1-7H3.
What are the key properties of 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene?
2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene has a molecular weight of 534.78 g/mol, XLogP of 10.11, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene is sourced from PubChem (CID 130350859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).