2-(2,2-diphenylethyl)-1,3-dimethoxybenzene

C22H22O2 — CID 57308610

IUPAC2-(2,2-diphenylethyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O2/c1-23-21-14-9-15-22(24-2)20(21)16-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-15,19H,16H2,1-2H3
InChIKeyKYJOJUHDPUGEGI-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.08
Rot. Bonds6

About 2-(2,2-diphenylethyl)-1,3-dimethoxybenzene

2-(2,2-diphenylethyl)-1,3-dimethoxybenzene (PubChem CID 57308610) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(2,2-diphenylethyl)-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-(2,2-diphenylethyl)-1,3-dimethoxybenzene
PubChem CID57308610
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name2-(2,2-diphenylethyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O2/c1-23-21-14-9-15-22(24-2)20(21)16-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-15,19H,16H2,1-2H3
InChIKeyKYJOJUHDPUGEGI-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene
CID 57058082
1-[chloro(phenyl)methyl]-2-ethyl-3-methoxybenzene
CID 150862192
3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid
CID 175042356
(2-amino-6-methoxyphenyl)methyl-triphenylphosphanium
CID 10227540
2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene
CID 57041430
N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine
CID 154511007
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
4-(2-methoxyphenyl)-2-phenylbutan-1-amine
CID 81010261
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 104815787
1-(2-ethoxy-6-methoxyphenyl)propan-2-ol
CID 117300607
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethyl)-1,3-dimethoxybenzene?
The IUPAC name of 2-(2,2-diphenylethyl)-1,3-dimethoxybenzene (CID 57308610) is 2-(2,2-diphenylethyl)-1,3-dimethoxybenzene.
What is the SMILES notation for 2-(2,2-diphenylethyl)-1,3-dimethoxybenzene?
The canonical SMILES for 2-(2,2-diphenylethyl)-1,3-dimethoxybenzene is COc1cccc(OC)c1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,2-diphenylethyl)-1,3-dimethoxybenzene?
The InChIKey is KYJOJUHDPUGEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-23-21-14-9-15-22(24-2)20(21)16-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-15,19H,16H2,1-2H3.
What are the key properties of 2-(2,2-diphenylethyl)-1,3-dimethoxybenzene?
2-(2,2-diphenylethyl)-1,3-dimethoxybenzene has a molecular weight of 318.42 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethyl)-1,3-dimethoxybenzene is sourced from PubChem (CID 57308610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).