1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene

C14H22O3 — CID 70354396

IUPAC1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene
SMILESCCOC(Cc1ccc(C)cc1)(OC)OCC
InChIInChI=1S/C14H22O3/c1-5-16-14(15-4,17-6-2)11-13-9-7-12(3)8-10-13/h7-10H,5-6,11H2,1-4H3
InChIKeyRTIIXOOIPIFGCX-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.91
Rot. Bonds7

About 1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene

1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene (PubChem CID 70354396) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene
PubChem CID70354396
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene
SMILESCCOC(Cc1ccc(C)cc1)(OC)OCC
InChIInChI=1S/C14H22O3/c1-5-16-14(15-4,17-6-2)11-13-9-7-12(3)8-10-13/h7-10H,5-6,11H2,1-4H3
InChIKeyRTIIXOOIPIFGCX-UHFFFAOYSA-N
XLogP2.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-(2,2,2-triethoxyethyl)benzene
CID 10060972
1-(2-methoxy-2-methylpropyl)-4-methylbenzene
CID 158908797
1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene
CID 62903326
3-[(4-methylphenyl)methyl]pentan-3-ol
CID 60799364
3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine
CID 116759601
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
CID 143144792
1-[2,2-bis(bromomethyl)butyl]-4-methylbenzene
CID 79455954
1-[2,2-bis(chloromethyl)-3-(4-methylphenyl)propyl]-4-methylbenzene
CID 134888789
1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980
ethyl 1,1,2-tris(4-methylphenyl)ethyl carbonate
CID 141487780
3-(4-aminophenyl)-2-ethoxy-2-methoxypropanoic acid
CID 172836103

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene?
The IUPAC name of 1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene (CID 70354396) is 1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene.
What is the SMILES notation for 1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene?
The canonical SMILES for 1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene is CCOC(Cc1ccc(C)cc1)(OC)OCC.
What is the InChIKey of 1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene?
The InChIKey is RTIIXOOIPIFGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-16-14(15-4,17-6-2)11-13-9-7-12(3)8-10-13/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene?
1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene has a molecular weight of 238.33 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene is sourced from PubChem (CID 70354396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).