2-benzyl-1-methoxy-3-(2-phenylethyl)benzene

C22H22O — CID 173327548

IUPAC2-benzyl-1-methoxy-3-(2-phenylethyl)benzene
SMILESCOc1cccc(CCc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C22H22O/c1-23-22-14-8-13-20(16-15-18-9-4-2-5-10-18)21(22)17-19-11-6-3-7-12-19/h2-14H,15-17H2,1H3
InChIKeyQGWXNSJDCBMCQF-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.07
Rot. Bonds6

About 2-benzyl-1-methoxy-3-(2-phenylethyl)benzene

2-benzyl-1-methoxy-3-(2-phenylethyl)benzene (PubChem CID 173327548) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-benzyl-1-methoxy-3-(2-phenylethyl)benzene.

Molecular Properties

Compound Name2-benzyl-1-methoxy-3-(2-phenylethyl)benzene
PubChem CID173327548
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name2-benzyl-1-methoxy-3-(2-phenylethyl)benzene
SMILESCOc1cccc(CCc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C22H22O/c1-23-22-14-8-13-20(16-15-18-9-4-2-5-10-18)21(22)17-19-11-6-3-7-12-19/h2-14H,15-17H2,1H3
InChIKeyQGWXNSJDCBMCQF-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-benzyl-3-methoxyphenyl)butanoic acid
CID 22324958
1-methoxy-2,3-bis(3-phenylpropyl)benzene
CID 57054570
3-methoxy-2-(2-phenylethyl)phenol
CID 44887037
1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene
CID 18332089
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone
CID 102035798
3-benzyl-1,2-dibutyl-4-methoxybenzene
CID 70537049
1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene
CID 162855754
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene
CID 24807987
2-(2-benzyl-3-methoxyphenoxy)acetamide
CID 174714930
4,5-dimethoxy-2-(2-phenylethyl)phenol
CID 174923457

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-methoxy-3-(2-phenylethyl)benzene?
The IUPAC name of 2-benzyl-1-methoxy-3-(2-phenylethyl)benzene (CID 173327548) is 2-benzyl-1-methoxy-3-(2-phenylethyl)benzene.
What is the SMILES notation for 2-benzyl-1-methoxy-3-(2-phenylethyl)benzene?
The canonical SMILES for 2-benzyl-1-methoxy-3-(2-phenylethyl)benzene is COc1cccc(CCc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-methoxy-3-(2-phenylethyl)benzene?
The InChIKey is QGWXNSJDCBMCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-23-22-14-8-13-20(16-15-18-9-4-2-5-10-18)21(22)17-19-11-6-3-7-12-19/h2-14H,15-17H2,1H3.
What are the key properties of 2-benzyl-1-methoxy-3-(2-phenylethyl)benzene?
2-benzyl-1-methoxy-3-(2-phenylethyl)benzene has a molecular weight of 302.42 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-methoxy-3-(2-phenylethyl)benzene is sourced from PubChem (CID 173327548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).