2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene

C38H46O — CID 91087300

IUPAC2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene
SMILESCC(C)CCOC(C)(C)c1c(C(C)c2ccccc2)cc(C(C)c2ccccc2)cc1C(C)c1ccccc1
InChIInChI=1S/C38H46O/c1-27(2)23-24-39-38(6,7)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
InChIKeyHFOYDYFZLLXQNS-UHFFFAOYSA-N
MW518.79 g/mol
LogP10.44
Rot. Bonds11

About 2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene

2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene (PubChem CID 91087300) has the molecular formula C38H46O and a molecular weight of 518.79 g/mol. Its IUPAC name is 2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene.

Molecular Properties

Compound Name2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene
PubChem CID91087300
Molecular FormulaC38H46O
Molecular Weight518.79 g/mol
Exact Mass518.35
IUPAC Name2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene
SMILESCC(C)CCOC(C)(C)c1c(C(C)c2ccccc2)cc(C(C)c2ccccc2)cc1C(C)c1ccccc1
InChIInChI=1S/C38H46O/c1-27(2)23-24-39-38(6,7)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
InChIKeyHFOYDYFZLLXQNS-UHFFFAOYSA-N
XLogP10.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.79
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[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-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene
CID 130350859
1-[(2-methylpropan-2-yl)oxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol
CID 138553566
[2-methyl-2-(3-methylbutoxy)propyl]benzene
CID 149129100
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
[2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane
CID 158802714
1-[2-(3-methylbutoxy)propan-2-yl]-3-phenylmethoxybenzene
CID 171082478
3-methylbutoxy(phenyl)methanediol
CID 143532405
1-ethyl-2,4-bis(1-phenylethyl)benzene
CID 3019817
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
[1-bromo-2-(3-methylbutoxy)propan-2-yl]benzene
CID 114772949

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene?
The IUPAC name of 2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene (CID 91087300) is 2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene.
What is the SMILES notation for 2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene?
The canonical SMILES for 2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene is CC(C)CCOC(C)(C)c1c(C(C)c2ccccc2)cc(C(C)c2ccccc2)cc1C(C)c1ccccc1.
What is the InChIKey of 2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene?
The InChIKey is HFOYDYFZLLXQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46O/c1-27(2)23-24-39-38(6,7)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-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene?
2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene has a molecular weight of 518.79 g/mol, XLogP of 10.44, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutoxy)propan-2-yl]-1,3,5-tris(1-phenylethyl)benzene is sourced from PubChem (CID 91087300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).