2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene

C26H30O5 — CID 139826649

IUPAC2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
SMILESCOc1ccc(COc2cc(OC)ccc2CCCc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C26H30O5/c1-27-22-12-8-19(9-13-22)18-31-26-17-24(29-3)15-11-21(26)7-5-6-20-10-14-23(28-2)16-25(20)30-4/h8-17H,5-7,18H2,1-4H3
InChIKeyMODUAIRHWZWABC-UHFFFAOYSA-N
MW422.52 g/mol
LogP5.48
Rot. Bonds11

About 2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene

2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene (PubChem CID 139826649) has the molecular formula C26H30O5 and a molecular weight of 422.52 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
PubChem CID139826649
Molecular FormulaC26H30O5
Molecular Weight422.52 g/mol
Exact Mass422.21
IUPAC Name2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
SMILESCOc1ccc(COc2cc(OC)ccc2CCCc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C26H30O5/c1-27-22-12-8-19(9-13-22)18-31-26-17-24(29-3)15-11-21(26)7-5-6-20-10-14-23(28-2)16-25(20)30-4/h8-17H,5-7,18H2,1-4H3
InChIKeyMODUAIRHWZWABC-UHFFFAOYSA-N
XLogP5.48
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.52
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene
CID 139826698
1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457
2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol
CID 139826466
1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene
CID 65477833
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene (CID 139826649) is 2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene is COc1ccc(COc2cc(OC)ccc2CCCc2ccc(OC)cc2OC)cc1.
What is the InChIKey of 2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene?
The InChIKey is MODUAIRHWZWABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O5/c1-27-22-12-8-19(9-13-22)18-31-26-17-24(29-3)15-11-21(26)7-5-6-20-10-14-23(28-2)16-25(20)30-4/h8-17H,5-7,18H2,1-4H3.
What are the key properties of 2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene?
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene has a molecular weight of 422.52 g/mol, XLogP of 5.48, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene is sourced from PubChem (CID 139826649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).