1,5-dibenzyl-2,4-dimethoxybenzene

C22H22O2 — CID 134865682

IUPAC1,5-dibenzyl-2,4-dimethoxybenzene
SMILESCOc1cc(OC)c(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C22H22O2/c1-23-21-16-22(24-2)20(14-18-11-7-4-8-12-18)15-19(21)13-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3
InChIKeyMPDIJSPJBDVXRV-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.89
Rot. Bonds6

About 1,5-dibenzyl-2,4-dimethoxybenzene

1,5-dibenzyl-2,4-dimethoxybenzene (PubChem CID 134865682) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1,5-dibenzyl-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1,5-dibenzyl-2,4-dimethoxybenzene
PubChem CID134865682
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name1,5-dibenzyl-2,4-dimethoxybenzene
SMILESCOc1cc(OC)c(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C22H22O2/c1-23-21-16-22(24-2)20(14-18-11-7-4-8-12-18)15-19(21)13-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3
InChIKeyMPDIJSPJBDVXRV-UHFFFAOYSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-bromo-2,5-dimethoxybenzene
CID 90014270
4-benzyl-3-methoxyaniline
CID 22599955
(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
CID 69398998
benzylbenzene;methoxymethane
CID 161110966
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
benzylbenzene;ethane;methoxymethane
CID 159187560
5-benzyl-4-methoxy-2-nitroaniline
CID 59627197
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
(5S)-7-benzyl-8-methoxy-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
CID 69246527
2-benzyl-4-[[3-[(5-benzyl-2-formyl-4-methoxyphenyl)methyl]-2-trimethylsilylphenyl]methyl]-5-methoxybenzaldehyde
CID 140707306
(5-benzyl-2-methoxyphenyl)methanethiol
CID 170413203
2-benzyl-N-(2-methoxyphenyl)aniline
CID 59889451

Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzyl-2,4-dimethoxybenzene?
The IUPAC name of 1,5-dibenzyl-2,4-dimethoxybenzene (CID 134865682) is 1,5-dibenzyl-2,4-dimethoxybenzene.
What is the SMILES notation for 1,5-dibenzyl-2,4-dimethoxybenzene?
The canonical SMILES for 1,5-dibenzyl-2,4-dimethoxybenzene is COc1cc(OC)c(Cc2ccccc2)cc1Cc1ccccc1.
What is the InChIKey of 1,5-dibenzyl-2,4-dimethoxybenzene?
The InChIKey is MPDIJSPJBDVXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-23-21-16-22(24-2)20(14-18-11-7-4-8-12-18)15-19(21)13-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 1,5-dibenzyl-2,4-dimethoxybenzene?
1,5-dibenzyl-2,4-dimethoxybenzene has a molecular weight of 318.42 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibenzyl-2,4-dimethoxybenzene is sourced from PubChem (CID 134865682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).