4-ethoxy-2-methoxy-1-propan-2-ylbenzene

C12H18O2 — CID 176811601

IUPAC4-ethoxy-2-methoxy-1-propan-2-ylbenzene
SMILESCCOc1ccc(C(C)C)c(OC)c1
InChIInChI=1S/C12H18O2/c1-5-14-10-6-7-11(9(2)3)12(8-10)13-4/h6-9H,5H2,1-4H3
InChIKeyUJXKRRUWKZJJJE-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.22
Rot. Bonds4

About 4-ethoxy-2-methoxy-1-propan-2-ylbenzene

4-ethoxy-2-methoxy-1-propan-2-ylbenzene (PubChem CID 176811601) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-ethoxy-2-methoxy-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-ethoxy-2-methoxy-1-propan-2-ylbenzene
PubChem CID176811601
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-ethoxy-2-methoxy-1-propan-2-ylbenzene
SMILESCCOc1ccc(C(C)C)c(OC)c1
InChIInChI=1S/C12H18O2/c1-5-14-10-6-7-11(9(2)3)12(8-10)13-4/h6-9H,5H2,1-4H3
InChIKeyUJXKRRUWKZJJJE-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
4-ethoxy-2-methoxyphenol
CID 54107015
2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole
CID 177170342
3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol
CID 139828173
1,2,3-trifluoro-5-(3-methoxy-4-propan-2-ylphenoxy)benzene
CID 177076526
2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879
1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
CID 82265613
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457
(4-ethoxy-2-methoxyphenyl) formate
CID 54118275
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methoxy-1-propan-2-ylbenzene?
The IUPAC name of 4-ethoxy-2-methoxy-1-propan-2-ylbenzene (CID 176811601) is 4-ethoxy-2-methoxy-1-propan-2-ylbenzene.
What is the SMILES notation for 4-ethoxy-2-methoxy-1-propan-2-ylbenzene?
The canonical SMILES for 4-ethoxy-2-methoxy-1-propan-2-ylbenzene is CCOc1ccc(C(C)C)c(OC)c1.
What is the InChIKey of 4-ethoxy-2-methoxy-1-propan-2-ylbenzene?
The InChIKey is UJXKRRUWKZJJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-14-10-6-7-11(9(2)3)12(8-10)13-4/h6-9H,5H2,1-4H3.
What are the key properties of 4-ethoxy-2-methoxy-1-propan-2-ylbenzene?
4-ethoxy-2-methoxy-1-propan-2-ylbenzene has a molecular weight of 194.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methoxy-1-propan-2-ylbenzene is sourced from PubChem (CID 176811601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).