2-benzyl-1,3-dimethoxy-5-phenylbenzene

C21H20O2 — CID 16741983

IUPAC2-benzyl-1,3-dimethoxy-5-phenylbenzene
SMILESCOc1cc(-c2ccccc2)cc(OC)c1Cc1ccccc1
InChIInChI=1S/C21H20O2/c1-22-20-14-18(17-11-7-4-8-12-17)15-21(23-2)19(20)13-16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3
InChIKeyOHZNGMJBCKGSFC-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.96
Rot. Bonds5

About 2-benzyl-1,3-dimethoxy-5-phenylbenzene

2-benzyl-1,3-dimethoxy-5-phenylbenzene (PubChem CID 16741983) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-benzyl-1,3-dimethoxy-5-phenylbenzene.

Molecular Properties

Compound Name2-benzyl-1,3-dimethoxy-5-phenylbenzene
PubChem CID16741983
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name2-benzyl-1,3-dimethoxy-5-phenylbenzene
SMILESCOc1cc(-c2ccccc2)cc(OC)c1Cc1ccccc1
InChIInChI=1S/C21H20O2/c1-22-20-14-18(17-11-7-4-8-12-17)15-21(23-2)19(20)13-16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3
InChIKeyOHZNGMJBCKGSFC-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150
1-methoxy-2-[(4-phenylphenyl)methyl]benzene
CID 174370208
(4-benzyl-3-chloro-5-methoxyphenyl)methanamine
CID 91201266
2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid
CID 66707549
1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene
CID 162855754
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
4-benzyl-3-methoxyaniline
CID 22599955
benzylbenzene;methoxymethane
CID 161110966
5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 139449783
2-benzyl-4-methoxy-3-methylphenol
CID 70517924
2-benzyl-1-methoxy-3-(2-phenylethyl)benzene
CID 173327548

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-dimethoxy-5-phenylbenzene?
The IUPAC name of 2-benzyl-1,3-dimethoxy-5-phenylbenzene (CID 16741983) is 2-benzyl-1,3-dimethoxy-5-phenylbenzene.
What is the SMILES notation for 2-benzyl-1,3-dimethoxy-5-phenylbenzene?
The canonical SMILES for 2-benzyl-1,3-dimethoxy-5-phenylbenzene is COc1cc(-c2ccccc2)cc(OC)c1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1,3-dimethoxy-5-phenylbenzene?
The InChIKey is OHZNGMJBCKGSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-22-20-14-18(17-11-7-4-8-12-17)15-21(23-2)19(20)13-16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 2-benzyl-1,3-dimethoxy-5-phenylbenzene?
2-benzyl-1,3-dimethoxy-5-phenylbenzene has a molecular weight of 304.39 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-dimethoxy-5-phenylbenzene is sourced from PubChem (CID 16741983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).