4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene

C34H46O4 — CID 150309669

IUPAC4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(-c2ccccc2-c2ccc(OC(C)(C)C)c(OC(C)(C)C)c2)cc1OC(C)(C)C
InChIInChI=1S/C34H46O4/c1-31(2,3)35-27-19-17-23(21-29(27)37-33(7,8)9)25-15-13-14-16-26(25)24-18-20-28(36-32(4,5)6)30(22-24)38-34(10,11)12/h13-22H,1-12H3
InChIKeyGLIQERSRBVRWSK-UHFFFAOYSA-N
MW518.74 g/mol
LogP9.73
Rot. Bonds6

About 4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene

4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 150309669) has the molecular formula C34H46O4 and a molecular weight of 518.74 g/mol. Its IUPAC name is 4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene
PubChem CID150309669
Molecular FormulaC34H46O4
Molecular Weight518.74 g/mol
Exact Mass518.34
IUPAC Name4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(-c2ccccc2-c2ccc(OC(C)(C)C)c(OC(C)(C)C)c2)cc1OC(C)(C)C
InChIInChI=1S/C34H46O4/c1-31(2,3)35-27-19-17-23(21-29(27)37-33(7,8)9)25-15-13-14-16-26(25)24-18-20-28(36-32(4,5)6)30(22-24)38-34(10,11)12/h13-22H,1-12H3
InChIKeyGLIQERSRBVRWSK-UHFFFAOYSA-N
XLogP9.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.74
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis[(2-methylpropan-2-yl)oxy]-4-(2-phenylphenyl)benzene
CID 174752402
1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene
CID 173271826
1-[3,4-bis(trifluoromethoxy)phenyl]-2,3-dimethoxybenzene
CID 91307892
2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 68785646
3,4-bis[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 129155644
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
CID 134627988
2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene
CID 69483176
4-bromo-2-chloro-1-[(2-methylpropan-2-yl)oxy]benzene
CID 59637134
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999
2-chloro-3-(3,4-dimethoxyphenyl)pyridine
CID 82087270
1-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]sulfanyl-2,3,4-tris[4-[(2-methylpropan-2-yl)oxy]phenyl]benzene
CID 172680165
2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline
CID 118807452

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene (CID 150309669) is 4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1ccc(-c2ccccc2-c2ccc(OC(C)(C)C)c(OC(C)(C)C)c2)cc1OC(C)(C)C.
What is the InChIKey of 4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is GLIQERSRBVRWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O4/c1-31(2,3)35-27-19-17-23(21-29(27)37-33(7,8)9)25-15-13-14-16-26(25)24-18-20-28(36-32(4,5)6)30(22-24)38-34(10,11)12/h13-22H,1-12H3.
What are the key properties of 4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene?
4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 518.74 g/mol, XLogP of 9.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 150309669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).