1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene

C28H42O4 — CID 139792803

IUPAC1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1ccc(-c2ccc(COC(C)C)cc2COC(C)C)c(COC(C)C)c1
InChIInChI=1S/C28H42O4/c1-19(2)29-15-23-9-11-27(25(13-23)17-31-21(5)6)28-12-10-24(16-30-20(3)4)14-26(28)18-32-22(7)8/h9-14,19-22H,15-18H2,1-8H3
InChIKeyHRNNZHNFXQZLQD-UHFFFAOYSA-N
MW442.64 g/mol
LogP7.05
Rot. Bonds13

About 1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene

1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene (PubChem CID 139792803) has the molecular formula C28H42O4 and a molecular weight of 442.64 g/mol. Its IUPAC name is 1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene
PubChem CID139792803
Molecular FormulaC28H42O4
Molecular Weight442.64 g/mol
Exact Mass442.31
IUPAC Name1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1ccc(-c2ccc(COC(C)C)cc2COC(C)C)c(COC(C)C)c1
InChIInChI=1S/C28H42O4/c1-19(2)29-15-23-9-11-27(25(13-23)17-31-21(5)6)28-12-10-24(16-30-20(3)4)14-26(28)18-32-22(7)8/h9-14,19-22H,15-18H2,1-8H3
InChIKeyHRNNZHNFXQZLQD-UHFFFAOYSA-N
XLogP7.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.64
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-bis(propan-2-yloxymethyl)anthracene
CID 176781411
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
2-methyl-5-(propan-2-yloxymethyl)phenol
CID 117222042
[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol
CID 62019697
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662
5-(propan-2-yloxymethyl)-1-benzofuran
CID 166645966
6-(propan-2-yloxymethyl)-1-benzofuran
CID 171518537
1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine
CID 83883412
2-hydroxy-4-(propan-2-yloxymethyl)benzoic acid
CID 83884862
2-fluoro-4-(propan-2-yloxymethyl)benzoic acid
CID 106698299
2-methyl-5-(propan-2-yloxymethyl)benzoic acid
CID 117222052

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene?
The IUPAC name of 1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene (CID 139792803) is 1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene?
The canonical SMILES for 1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene is CC(C)OCc1ccc(-c2ccc(COC(C)C)cc2COC(C)C)c(COC(C)C)c1.
What is the InChIKey of 1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene?
The InChIKey is HRNNZHNFXQZLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O4/c1-19(2)29-15-23-9-11-27(25(13-23)17-31-21(5)6)28-12-10-24(16-30-20(3)4)14-26(28)18-32-22(7)8/h9-14,19-22H,15-18H2,1-8H3.
What are the key properties of 1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene?
1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene has a molecular weight of 442.64 g/mol, XLogP of 7.05, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 139792803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).