1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene

C32H34O4 — CID 162855754

IUPAC1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene
SMILESCOc1ccc(Cc2c(OC)cc(OC)c(Cc3ccc(OC)cc3)c2CCc2ccccc2)cc1
InChIInChI=1S/C32H34O4/c1-33-26-15-10-24(11-16-26)20-29-28(19-14-23-8-6-5-7-9-23)30(32(36-4)22-31(29)35-3)21-25-12-17-27(34-2)18-13-25/h5-13,15-18,22H,14,19-21H2,1-4H3
InChIKeyOPEMMZNZWWKQGT-UHFFFAOYSA-N
MW482.62 g/mol
LogP6.69
Rot. Bonds11

About 1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene

1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene (PubChem CID 162855754) has the molecular formula C32H34O4 and a molecular weight of 482.62 g/mol. Its IUPAC name is 1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene
PubChem CID162855754
Molecular FormulaC32H34O4
Molecular Weight482.62 g/mol
Exact Mass482.25
IUPAC Name1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene
SMILESCOc1ccc(Cc2c(OC)cc(OC)c(Cc3ccc(OC)cc3)c2CCc2ccccc2)cc1
InChIInChI=1S/C32H34O4/c1-33-26-15-10-24(11-16-26)20-29-28(19-14-23-8-6-5-7-9-23)30(32(36-4)22-31(29)35-3)21-25-12-17-27(34-2)18-13-25/h5-13,15-18,22H,14,19-21H2,1-4H3
InChIKeyOPEMMZNZWWKQGT-UHFFFAOYSA-N
XLogP6.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
2-benzyl-1,3-dimethoxy-5-phenylbenzene
CID 16741983
2-benzyl-1-methoxy-3-(2-phenylethyl)benzene
CID 173327548
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 171715581
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
1,2-dibenzyl-7-methoxynaphthalene
CID 174540478
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
CID 172870969

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene?
The IUPAC name of 1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene (CID 162855754) is 1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene.
What is the SMILES notation for 1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene?
The canonical SMILES for 1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene is COc1ccc(Cc2c(OC)cc(OC)c(Cc3ccc(OC)cc3)c2CCc2ccccc2)cc1.
What is the InChIKey of 1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene?
The InChIKey is OPEMMZNZWWKQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O4/c1-33-26-15-10-24(11-16-26)20-29-28(19-14-23-8-6-5-7-9-23)30(32(36-4)22-31(29)35-3)21-25-12-17-27(34-2)18-13-25/h5-13,15-18,22H,14,19-21H2,1-4H3.
What are the key properties of 1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene?
1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene has a molecular weight of 482.62 g/mol, XLogP of 6.69, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene is sourced from PubChem (CID 162855754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).