1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene

C30H30O3 — CID 172870937

IUPAC1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
SMILESCOc1ccc(CCc2ccc(Oc3cccc(CCc4cccc(OC)c4)c3)cc2)cc1
InChIInChI=1S/C30H30O3/c1-31-27-17-13-23(14-18-27)9-10-24-15-19-28(20-16-24)33-30-8-4-6-26(22-30)12-11-25-5-3-7-29(21-25)32-2/h3-8,13-22H,9-12H2,1-2H3
InChIKeyWZDGQFQSSXOLKH-UHFFFAOYSA-N
MW438.57 g/mol
LogP7.07
Rot. Bonds10

About 1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene

1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene (PubChem CID 172870937) has the molecular formula C30H30O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
PubChem CID172870937
Molecular FormulaC30H30O3
Molecular Weight438.57 g/mol
Exact Mass438.22
IUPAC Name1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
SMILESCOc1ccc(CCc2ccc(Oc3cccc(CCc4cccc(OC)c4)c3)cc2)cc1
InChIInChI=1S/C30H30O3/c1-31-27-17-13-23(14-18-27)9-10-24-15-19-28(20-16-24)33-30-8-4-6-26(22-30)12-11-25-5-3-7-29(21-25)32-2/h3-8,13-22H,9-12H2,1-2H3
InChIKeyWZDGQFQSSXOLKH-UHFFFAOYSA-N
XLogP7.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871054
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871445
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871171
1-methoxy-3-[2-methoxy-4-[2-(3-methoxyphenyl)ethyl]phenoxy]-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 172871177
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870898
3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride
CID 110184914
1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870751

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene?
The IUPAC name of 1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene (CID 172870937) is 1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene.
What is the SMILES notation for 1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene?
The canonical SMILES for 1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene is COc1ccc(CCc2ccc(Oc3cccc(CCc4cccc(OC)c4)c3)cc2)cc1.
What is the InChIKey of 1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene?
The InChIKey is WZDGQFQSSXOLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O3/c1-31-27-17-13-23(14-18-27)9-10-24-15-19-28(20-16-24)33-30-8-4-6-26(22-30)12-11-25-5-3-7-29(21-25)32-2/h3-8,13-22H,9-12H2,1-2H3.
What are the key properties of 1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene?
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene has a molecular weight of 438.57 g/mol, XLogP of 7.07, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene is sourced from PubChem (CID 172870937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).