4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene

C22H30O — CID 57139112

IUPAC4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene
SMILESCCc1ccc(COCc2ccc(CC)c(CC)c2)cc1CC
InChIInChI=1S/C22H30O/c1-5-19-11-9-17(13-21(19)7-3)15-23-16-18-10-12-20(6-2)22(8-4)14-18/h9-14H,5-8,15-16H2,1-4H3
InChIKeyYNAOSVBKBYODHN-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.65
Rot. Bonds8

About 4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene

4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene (PubChem CID 57139112) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene.

Molecular Properties

Compound Name4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene
PubChem CID57139112
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene
SMILESCCc1ccc(COCc2ccc(CC)c(CC)c2)cc1CC
InChIInChI=1S/C22H30O/c1-5-19-11-9-17(13-21(19)7-3)15-23-16-18-10-12-20(6-2)22(8-4)14-18/h9-14H,5-8,15-16H2,1-4H3
InChIKeyYNAOSVBKBYODHN-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-diethyl-4-propylbenzene
CID 54363919
2-ethyl-5-(propoxymethyl)aniline
CID 12708575
1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene
CID 139601632
1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482275
O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine
CID 117284110
(3,4-diethylphenyl)methanesulfonyl chloride
CID 117369333
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
(2,4-diethylphenyl)methanol
CID 21414896
2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine
CID 113319292
1,2,4-triethylbenzene;1,2,3-trimethylbenzene
CID 160595635
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine
CID 82354162

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene?
The IUPAC name of 4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene (CID 57139112) is 4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene.
What is the SMILES notation for 4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene?
The canonical SMILES for 4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene is CCc1ccc(COCc2ccc(CC)c(CC)c2)cc1CC.
What is the InChIKey of 4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene?
The InChIKey is YNAOSVBKBYODHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-5-19-11-9-17(13-21(19)7-3)15-23-16-18-10-12-20(6-2)22(8-4)14-18/h9-14H,5-8,15-16H2,1-4H3.
What are the key properties of 4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene?
4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene has a molecular weight of 310.48 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene is sourced from PubChem (CID 57139112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).