2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene

C27H32O4 — CID 173310858

IUPAC2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene
SMILESCCCc1cc(-c2ccc(OC)c(C)c2)c(OC)c(-c2ccc(OC)c(C)c2)c1OC
InChIInChI=1S/C27H32O4/c1-8-9-21-16-22(19-10-12-23(28-4)17(2)14-19)27(31-7)25(26(21)30-6)20-11-13-24(29-5)18(3)15-20/h10-16H,8-9H2,1-7H3
InChIKeyZOIIKFHAWFENGS-UHFFFAOYSA-N
MW420.55 g/mol
LogP6.62
Rot. Bonds8

About 2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene

2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene (PubChem CID 173310858) has the molecular formula C27H32O4 and a molecular weight of 420.55 g/mol. Its IUPAC name is 2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene.

Molecular Properties

Compound Name2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene
PubChem CID173310858
Molecular FormulaC27H32O4
Molecular Weight420.55 g/mol
Exact Mass420.23
IUPAC Name2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene
SMILESCCCc1cc(-c2ccc(OC)c(C)c2)c(OC)c(-c2ccc(OC)c(C)c2)c1OC
InChIInChI=1S/C27H32O4/c1-8-9-21-16-22(19-10-12-23(28-4)17(2)14-19)27(31-7)25(26(21)30-6)20-11-13-24(29-5)18(3)15-20/h10-16H,8-9H2,1-7H3
InChIKeyZOIIKFHAWFENGS-UHFFFAOYSA-N
XLogP6.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(4-methoxy-3-methylphenyl)-2-phenoxy-4-propylbenzene
CID 57098205
2-[2,3-bis(4-methoxy-3-methylphenyl)phenyl]ethanol
CID 173306019
1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene
CID 45267390
2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol
CID 57197865
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105409944
1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
CID 134628428
4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene
CID 126696020
2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069391
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66158083
3-(4-methoxy-3-methylphenyl)-N-propylpyrazin-2-amine
CID 112559373

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene?
The IUPAC name of 2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene (CID 173310858) is 2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene.
What is the SMILES notation for 2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene?
The canonical SMILES for 2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene is CCCc1cc(-c2ccc(OC)c(C)c2)c(OC)c(-c2ccc(OC)c(C)c2)c1OC.
What is the InChIKey of 2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene?
The InChIKey is ZOIIKFHAWFENGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O4/c1-8-9-21-16-22(19-10-12-23(28-4)17(2)14-19)27(31-7)25(26(21)30-6)20-11-13-24(29-5)18(3)15-20/h10-16H,8-9H2,1-7H3.
What are the key properties of 2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene?
2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene has a molecular weight of 420.55 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene is sourced from PubChem (CID 173310858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).