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

C24H26O3 — CID 57058082

IUPAC2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene
SMILESCOc1ccc(C(Cc2c(C)cccc2OC)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H26O3/c1-17-6-5-7-24(27-4)22(17)16-23(18-8-12-20(25-2)13-9-18)19-10-14-21(26-3)15-11-19/h5-15,23H,16H2,1-4H3
InChIKeyAZTYUZNWZPFALJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.40
Rot. Bonds7

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

2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene (PubChem CID 57058082) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene.

Molecular Properties

Compound Name2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene
PubChem CID57058082
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene
SMILESCOc1ccc(C(Cc2c(C)cccc2OC)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H26O3/c1-17-6-5-7-24(27-4)22(17)16-23(18-8-12-20(25-2)13-9-18)19-10-14-21(26-3)15-11-19/h5-15,23H,16H2,1-4H3
InChIKeyAZTYUZNWZPFALJ-UHFFFAOYSA-N
XLogP5.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-bis(4-methoxyphenyl)ethyl]-1,3-dimethylbenzene
CID 57041430
2-(2,2-diphenylethyl)-1,3-dimethoxybenzene
CID 57308610
(2R)-3-(2,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100528002
2-(2-methoxy-6-methylphenyl)ethanol
CID 15742838
[3-(2-methoxy-6-methylphenyl)-2-methylpropyl] thiocyanate
CID 112717426
triethoxy-[(2-methoxy-6-methylphenyl)methyl]silane
CID 59566744
2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine
CID 83923856
1-(2,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 63018245
1-(2-methoxy-6-methylphenyl)-2-methylheptan-4-one
CID 83923895
2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138370
2-butyl-1,3-dimethoxybenzene
CID 524840
5-(2-methoxy-6-methylphenyl)pentane-2,3-diol
CID 83923964

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene?
The IUPAC name of 2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene (CID 57058082) is 2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene.
What is the SMILES notation for 2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene?
The canonical SMILES for 2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene is COc1ccc(C(Cc2c(C)cccc2OC)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene?
The InChIKey is AZTYUZNWZPFALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-17-6-5-7-24(27-4)22(17)16-23(18-8-12-20(25-2)13-9-18)19-10-14-21(26-3)15-11-19/h5-15,23H,16H2,1-4H3.
What are the key properties of 2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene?
2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene has a molecular weight of 362.47 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene is sourced from PubChem (CID 57058082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).