2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene

C18H22O4 — CID 21071778

IUPAC2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene
SMILESCOc1ccc(-c2ccc(C)c(OCC(OC)OC)c2)cc1
InChIInChI=1S/C18H22O4/c1-13-5-6-15(14-7-9-16(19-2)10-8-14)11-17(13)22-12-18(20-3)21-4/h5-11,18H,12H2,1-4H3
InChIKeyYEBREATYOVNFFT-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.67
Rot. Bonds7

About 2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene

2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene (PubChem CID 21071778) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene.

Molecular Properties

Compound Name2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene
PubChem CID21071778
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene
SMILESCOc1ccc(-c2ccc(C)c(OCC(OC)OC)c2)cc1
InChIInChI=1S/C18H22O4/c1-13-5-6-15(14-7-9-16(19-2)10-8-14)11-17(13)22-12-18(20-3)21-4/h5-11,18H,12H2,1-4H3
InChIKeyYEBREATYOVNFFT-UHFFFAOYSA-N
XLogP3.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dimethoxyethoxy)-1,2-dimethylbenzene
CID 66223394
2-methoxy-6-(3-methoxy-4-methylphenyl)naphthalene
CID 57012474
5-(4-methoxyphenyl)-1,2,3-trimethylbenzene
CID 132540116
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-(3,4-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16784581
4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
CID 59177328
2-butoxy-1-methyl-4-(4-methyl-3-propoxyphenyl)benzene
CID 165016144
1-(2,2-dimethoxyethoxy)-2,3-dimethylbenzene
CID 4198790
2-[2-methoxy-4-(4-methoxyphenyl)phenoxy]ethanol
CID 145389562
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
4-(4-fluorophenyl)-2-methoxy-1-methylbenzene
CID 46313029
1-(methoxymethyl)-4-(4-methoxyphenyl)-2-methylbenzene
CID 91108863

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene?
The IUPAC name of 2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene (CID 21071778) is 2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene.
What is the SMILES notation for 2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene?
The canonical SMILES for 2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene is COc1ccc(-c2ccc(C)c(OCC(OC)OC)c2)cc1.
What is the InChIKey of 2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene?
The InChIKey is YEBREATYOVNFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-13-5-6-15(14-7-9-16(19-2)10-8-14)11-17(13)22-12-18(20-3)21-4/h5-11,18H,12H2,1-4H3.
What are the key properties of 2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene?
2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene has a molecular weight of 302.37 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethoxy)-4-(4-methoxyphenyl)-1-methylbenzene is sourced from PubChem (CID 21071778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).