1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene

C31H32O4 — CID 172871171

IUPAC1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
SMILESCOc1ccc(CCc2ccc(Oc3cc(CCc4ccc(OC)cc4)cc(OC)c3)cc2)cc1
InChIInChI=1S/C31H32O4/c1-32-27-14-8-23(9-15-27)4-5-24-12-18-29(19-13-24)35-31-21-26(20-30(22-31)34-3)7-6-25-10-16-28(33-2)17-11-25/h8-22H,4-7H2,1-3H3
InChIKeyRMZXFXOOSYGKPY-UHFFFAOYSA-N
MW468.59 g/mol
LogP7.08
Rot. Bonds11

About 1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene

1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene (PubChem CID 172871171) has the molecular formula C31H32O4 and a molecular weight of 468.59 g/mol. Its IUPAC name is 1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene.

Molecular Properties

Compound Name1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
PubChem CID172871171
Molecular FormulaC31H32O4
Molecular Weight468.59 g/mol
Exact Mass468.23
IUPAC Name1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
SMILESCOc1ccc(CCc2ccc(Oc3cc(CCc4ccc(OC)cc4)cc(OC)c3)cc2)cc1
InChIInChI=1S/C31H32O4/c1-32-27-14-8-23(9-15-27)4-5-24-12-18-29(19-13-24)35-31-21-26(20-30(22-31)34-3)7-6-25-10-16-28(33-2)17-11-25/h8-22H,4-7H2,1-3H3
InChIKeyRMZXFXOOSYGKPY-UHFFFAOYSA-N
XLogP7.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
1,3-dimethoxy-5-[2-[4-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871269
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 172871453
3-methoxy-5-(4-propylphenoxy)aniline
CID 80749252
1-methoxy-3-[2-methoxy-4-[2-(3-methoxyphenyl)ethyl]phenoxy]-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 172871177
5-[2-[3-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole
CID 172871162
3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
2-[4-(3-methoxy-5-nitrophenoxy)phenyl]ethanamine
CID 80742831

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene?
The IUPAC name of 1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene (CID 172871171) is 1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene.
What is the SMILES notation for 1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene?
The canonical SMILES for 1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene is COc1ccc(CCc2ccc(Oc3cc(CCc4ccc(OC)cc4)cc(OC)c3)cc2)cc1.
What is the InChIKey of 1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene?
The InChIKey is RMZXFXOOSYGKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O4/c1-32-27-14-8-23(9-15-27)4-5-24-12-18-29(19-13-24)35-31-21-26(20-30(22-31)34-3)7-6-25-10-16-28(33-2)17-11-25/h8-22H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene?
1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene has a molecular weight of 468.59 g/mol, XLogP of 7.08, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene is sourced from PubChem (CID 172871171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).