1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene

C13H20O2 — CID 141126419

IUPAC1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
SMILESCCOc1cccc(C(C)(C)COC)c1
InChIInChI=1S/C13H20O2/c1-5-15-12-8-6-7-11(9-12)13(2,3)10-14-4/h6-9H,5,10H2,1-4H3
InChIKeyUQPUTCZGKBYOLS-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.01
Rot. Bonds5

About 1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene

1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene (PubChem CID 141126419) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene.

Molecular Properties

Compound Name1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
PubChem CID141126419
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
SMILESCCOc1cccc(C(C)(C)COC)c1
InChIInChI=1S/C13H20O2/c1-5-15-12-8-6-7-11(9-12)13(2,3)10-14-4/h6-9H,5,10H2,1-4H3
InChIKeyUQPUTCZGKBYOLS-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-methylbutan-2-yl)-3-prop-2-ynoxybenzene
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ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate
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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene?
The IUPAC name of 1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene (CID 141126419) is 1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene.
What is the SMILES notation for 1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene?
The canonical SMILES for 1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene is CCOc1cccc(C(C)(C)COC)c1.
What is the InChIKey of 1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene?
The InChIKey is UQPUTCZGKBYOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-15-12-8-6-7-11(9-12)13(2,3)10-14-4/h6-9H,5,10H2,1-4H3.
What are the key properties of 1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene?
1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene has a molecular weight of 208.30 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene is sourced from PubChem (CID 141126419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).