1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene

C34H38O3 — CID 130301426

IUPAC1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene
SMILESCOc1ccc(CC(CCc2ccccc2)OC(CCc2ccccc2)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C34H38O3/c1-35-31-19-15-29(16-20-31)25-33(23-13-27-9-5-3-6-10-27)37-34(24-14-28-11-7-4-8-12-28)26-30-17-21-32(36-2)22-18-30/h3-12,15-22,33-34H,13-14,23-26H2,1-2H3
InChIKeyAQHJZIWPOQJTOA-UHFFFAOYSA-N
MW494.68 g/mol
LogP7.51
Rot. Bonds14

About 1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene

1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene (PubChem CID 130301426) has the molecular formula C34H38O3 and a molecular weight of 494.68 g/mol. Its IUPAC name is 1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene
PubChem CID130301426
Molecular FormulaC34H38O3
Molecular Weight494.68 g/mol
Exact Mass494.28
IUPAC Name1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene
SMILESCOc1ccc(CC(CCc2ccccc2)OC(CCc2ccccc2)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C34H38O3/c1-35-31-19-15-29(16-20-31)25-33(23-13-27-9-5-3-6-10-27)37-34(24-14-28-11-7-4-8-12-28)26-30-17-21-32(36-2)22-18-30/h3-12,15-22,33-34H,13-14,23-26H2,1-2H3
InChIKeyAQHJZIWPOQJTOA-UHFFFAOYSA-N
XLogP7.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
1-bromo-4-[2-bromo-4-(4-methoxyphenyl)butyl]benzene
CID 63542238
1-methoxy-4-[(3S)-5-phenylpent-1-yn-3-yl]oxybenzene
CID 134967057
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
4-methoxy-N-(1-phenylheptan-3-yl)aniline
CID 85304689
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
CID 20758158
5-(4-methoxyphenyl)-3-phenylpentan-1-ol
CID 71490427

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene?
The IUPAC name of 1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene (CID 130301426) is 1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene?
The canonical SMILES for 1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene is COc1ccc(CC(CCc2ccccc2)OC(CCc2ccccc2)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene?
The InChIKey is AQHJZIWPOQJTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O3/c1-35-31-19-15-29(16-20-31)25-33(23-13-27-9-5-3-6-10-27)37-34(24-14-28-11-7-4-8-12-28)26-30-17-21-32(36-2)22-18-30/h3-12,15-22,33-34H,13-14,23-26H2,1-2H3.
What are the key properties of 1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene?
1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene has a molecular weight of 494.68 g/mol, XLogP of 7.51, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene is sourced from PubChem (CID 130301426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).