2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene

C24H26O2 — CID 57041430

IUPAC2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene
SMILESCOc1ccc(C(Cc2c(C)cccc2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H26O2/c1-17-6-5-7-18(2)23(17)16-24(19-8-12-21(25-3)13-9-19)20-10-14-22(26-4)15-11-20/h5-15,24H,16H2,1-4H3
InChIKeyOHSLNULRYRWDLI-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.70
Rot. Bonds6

About 2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene

2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene (PubChem CID 57041430) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene
PubChem CID57041430
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene
SMILESCOc1ccc(C(Cc2c(C)cccc2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H26O2/c1-17-6-5-7-18(2)23(17)16-24(19-8-12-21(25-3)13-9-19)20-10-14-22(26-4)15-11-20/h5-15,24H,16H2,1-4H3
InChIKeyOHSLNULRYRWDLI-UHFFFAOYSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.70
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
(2R)-3-(2,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100528002
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 143173593
1-[bromo-(4-methoxyphenyl)methyl]-2,3-dimethylbenzene
CID 55198176
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138370
(4-methoxyphenyl)-(2-methylphenyl)methanamine
CID 24688459
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene (CID 57041430) is 2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene is COc1ccc(C(Cc2c(C)cccc2C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene?
The InChIKey is OHSLNULRYRWDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-17-6-5-7-18(2)23(17)16-24(19-8-12-21(25-3)13-9-19)20-10-14-22(26-4)15-11-20/h5-15,24H,16H2,1-4H3.
What are the key properties of 2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene?
2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene has a molecular weight of 346.47 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene is sourced from PubChem (CID 57041430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).