1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene

C38H38O4 — CID 175327763

IUPAC1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2ccc(Cc3ccc(OC)cc3)c(Cc3ccc(OC)cc3)c2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C38H38O4/c1-39-33-15-5-27(6-16-33)23-31-13-14-32(24-28-7-17-34(40-2)18-8-28)38(26-30-11-21-36(42-4)22-12-30)37(31)25-29-9-19-35(41-3)20-10-29/h5-22H,23-26H2,1-4H3
InChIKeyQEQSBWLPCBHENN-UHFFFAOYSA-N
MW558.72 g/mol
LogP8.08
Rot. Bonds12

About 1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene

1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene (PubChem CID 175327763) has the molecular formula C38H38O4 and a molecular weight of 558.72 g/mol. Its IUPAC name is 1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
PubChem CID175327763
Molecular FormulaC38H38O4
Molecular Weight558.72 g/mol
Exact Mass558.28
IUPAC Name1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2ccc(Cc3ccc(OC)cc3)c(Cc3ccc(OC)cc3)c2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C38H38O4/c1-39-33-15-5-27(6-16-33)23-31-13-14-32(24-28-7-17-34(40-2)18-8-28)38(26-30-11-21-36(42-4)22-12-30)37(31)25-29-9-19-35(41-3)20-10-29/h5-22H,23-26H2,1-4H3
InChIKeyQEQSBWLPCBHENN-UHFFFAOYSA-N
XLogP8.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis[(4-methoxyphenyl)methyl]anthracene
CID 174931223
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
1,2-dibenzyl-7-methoxynaphthalene
CID 174540478
ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250
[2-[(4-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335204
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
1,2,3,4-tetramethoxy-5-[(4-methoxyphenyl)methyl]-6-methylbenzene
CID 142654799
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole
CID 142774486
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene (CID 175327763) is 1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene is COc1ccc(Cc2ccc(Cc3ccc(OC)cc3)c(Cc3ccc(OC)cc3)c2Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene?
The InChIKey is QEQSBWLPCBHENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38O4/c1-39-33-15-5-27(6-16-33)23-31-13-14-32(24-28-7-17-34(40-2)18-8-28)38(26-30-11-21-36(42-4)22-12-30)37(31)25-29-9-19-35(41-3)20-10-29/h5-22H,23-26H2,1-4H3.
What are the key properties of 1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene?
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene has a molecular weight of 558.72 g/mol, XLogP of 8.08, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 175327763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).