1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene

C15H24O2 — CID 123447747

IUPAC1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene
SMILESCCc1ccc(OCC(C)C)cc1OC(C)C
InChIInChI=1S/C15H24O2/c1-6-13-7-8-14(16-10-11(2)3)9-15(13)17-12(4)5/h7-9,11-12H,6,10H2,1-5H3
InChIKeyGYJZTTAHKHTAJI-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.07
Rot. Bonds6

About 1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene

1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene (PubChem CID 123447747) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene
PubChem CID123447747
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene
SMILESCCc1ccc(OCC(C)C)cc1OC(C)C
InChIInChI=1S/C15H24O2/c1-6-13-7-8-14(16-10-11(2)3)9-15(13)17-12(4)5/h7-9,11-12H,6,10H2,1-5H3
InChIKeyGYJZTTAHKHTAJI-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid
CID 82551979
[2,4-di(propan-2-yloxy)phenyl]methanol
CID 12071268
2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63061975
N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine
CID 54804735
1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82551989
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
2-butoxy-4-(2-methylpropoxy)aniline
CID 155920753
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266
1-(chloromethyl)-4-methoxy-2-(2-methylpropoxy)benzene
CID 61268907
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
CID 23651183

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene?
The IUPAC name of 1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene (CID 123447747) is 1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene?
The canonical SMILES for 1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene is CCc1ccc(OCC(C)C)cc1OC(C)C.
What is the InChIKey of 1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene?
The InChIKey is GYJZTTAHKHTAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-13-7-8-14(16-10-11(2)3)9-15(13)17-12(4)5/h7-9,11-12H,6,10H2,1-5H3.
What are the key properties of 1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene?
1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene has a molecular weight of 236.36 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene is sourced from PubChem (CID 123447747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).