1-ethyl-2,3-bis(4-methoxyphenyl)benzene

C22H22O2 — CID 54211857

IUPAC1-ethyl-2,3-bis(4-methoxyphenyl)benzene
SMILESCCc1cccc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C22H22O2/c1-4-16-6-5-7-21(17-8-12-19(23-2)13-9-17)22(16)18-10-14-20(24-3)15-11-18/h5-15H,4H2,1-3H3
InChIKeyYWVWCCZUVIGPCM-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.60
Rot. Bonds5

About 1-ethyl-2,3-bis(4-methoxyphenyl)benzene

1-ethyl-2,3-bis(4-methoxyphenyl)benzene (PubChem CID 54211857) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-ethyl-2,3-bis(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-ethyl-2,3-bis(4-methoxyphenyl)benzene
PubChem CID54211857
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name1-ethyl-2,3-bis(4-methoxyphenyl)benzene
SMILESCCc1cccc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C22H22O2/c1-4-16-6-5-7-21(17-8-12-19(23-2)13-9-17)22(16)18-10-14-20(24-3)15-11-18/h5-15H,4H2,1-3H3
InChIKeyYWVWCCZUVIGPCM-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-2,3-bis(4-methoxyphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,3-bis(4-methoxyphenyl)phenyl]boronic acid
CID 175811193
2-(3-ethyl-2-methylphenyl)-6-methoxynaphthalene
CID 57259225
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
2-(4-methoxyphenyl)-1-naphthalen-1-ylnaphthalene
CID 10737250
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
2-[[2,6-bis(4-methoxyphenyl)phenyl]disulfanyl]-1,3-bis(4-methoxyphenyl)benzene
CID 87488450
1,2-bis(4-methylphenyl)-3-propylbenzene
CID 173306063
(4-nitrophenyl) 4-[[2,3-bis(4-methoxyphenyl)phenyl]methoxy]hexanoate
CID 68637050
[2,3-bis(4-methylphenyl)phenyl]methanol
CID 67427826
1,3-bis(4-methoxyphenyl)-2-methylsulfanylbenzene
CID 50916407
fluorophosphonic acid;[3-(4-methoxyphenyl)-2-propylphenyl]methanethiol
CID 173312765
7-(4-methoxyphenyl)-3-phenylisoindol-1-one
CID 141211329

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-bis(4-methoxyphenyl)benzene?
The IUPAC name of 1-ethyl-2,3-bis(4-methoxyphenyl)benzene (CID 54211857) is 1-ethyl-2,3-bis(4-methoxyphenyl)benzene.
What is the SMILES notation for 1-ethyl-2,3-bis(4-methoxyphenyl)benzene?
The canonical SMILES for 1-ethyl-2,3-bis(4-methoxyphenyl)benzene is CCc1cccc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-2,3-bis(4-methoxyphenyl)benzene?
The InChIKey is YWVWCCZUVIGPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-4-16-6-5-7-21(17-8-12-19(23-2)13-9-17)22(16)18-10-14-20(24-3)15-11-18/h5-15H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,3-bis(4-methoxyphenyl)benzene?
1-ethyl-2,3-bis(4-methoxyphenyl)benzene has a molecular weight of 318.42 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-bis(4-methoxyphenyl)benzene is sourced from PubChem (CID 54211857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).