1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene

C30H30O3 — CID 22357970

IUPAC1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
SMILESCOc1ccc(CC(OC(Cc2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H30O3/c1-31-27-17-13-23(14-18-27)21-29(25-9-5-3-6-10-25)33-30(26-11-7-4-8-12-26)22-24-15-19-28(32-2)20-16-24/h3-20,29-30H,21-22H2,1-2H3
InChIKeyQGXZWFBKCIMEDY-UHFFFAOYSA-N
MW438.57 g/mol
LogP6.99
Rot. Bonds10

About 1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene

1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene (PubChem CID 22357970) has the molecular formula C30H30O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
PubChem CID22357970
Molecular FormulaC30H30O3
Molecular Weight438.57 g/mol
Exact Mass438.22
IUPAC Name1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
SMILESCOc1ccc(CC(OC(Cc2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H30O3/c1-31-27-17-13-23(14-18-27)21-29(25-9-5-3-6-10-25)33-30(26-11-7-4-8-12-26)22-24-15-19-28(32-2)20-16-24/h3-20,29-30H,21-22H2,1-2H3
InChIKeyQGXZWFBKCIMEDY-UHFFFAOYSA-N
XLogP6.99
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 ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 139809698
1,4-bis(1,2-diphenylethoxy)benzene
CID 67207918
2-[1-(4-methoxyphenyl)-2-phenylethoxy]pyridine
CID 175878061
1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene
CID 130301426
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
CID 1378355
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-[(1R)-1-[(1R)-1,2-bis(4-methoxyphenyl)ethoxy]ethyl]imidazole
CID 95988616
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
(1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol
CID 125467735

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene?
The IUPAC name of 1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene (CID 22357970) is 1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene?
The canonical SMILES for 1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene is COc1ccc(CC(OC(Cc2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene?
The InChIKey is QGXZWFBKCIMEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O3/c1-31-27-17-13-23(14-18-27)21-29(25-9-5-3-6-10-25)33-30(26-11-7-4-8-12-26)22-24-15-19-28(32-2)20-16-24/h3-20,29-30H,21-22H2,1-2H3.
What are the key properties of 1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene?
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene has a molecular weight of 438.57 g/mol, XLogP of 6.99, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene is sourced from PubChem (CID 22357970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).