ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene

C15H26O2 — CID 144562754

IUPACethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
SMILESCC.CCc1cc(C(C)C)cc(OC)c1OC
InChIInChI=1S/C13H20O2.C2H6/c1-6-10-7-11(9(2)3)8-12(14-4)13(10)15-5;1-2/h7-9H,6H2,1-5H3;1-2H3
InChIKeyKEAOONYBCDIUNG-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.42
Rot. Bonds4

About ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene

ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene (PubChem CID 144562754) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
PubChem CID144562754
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
SMILESCC.CCc1cc(C(C)C)cc(OC)c1OC
InChIInChI=1S/C13H20O2.C2H6/c1-6-10-7-11(9(2)3)8-12(14-4)13(10)15-5;1-2/h7-9H,6H2,1-5H3;1-2H3
InChIKeyKEAOONYBCDIUNG-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117376984
1,3-diethyl-2-methyl-5-propan-2-ylbenzene
CID 153439448
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117381796
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
[5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol
CID 84683414
5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene
CID 15310594
1,2-diethyl-3,4,5-trimethoxybenzene
CID 123966014
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene?
The IUPAC name of ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene (CID 144562754) is ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene.
What is the SMILES notation for ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene?
The canonical SMILES for ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene is CC.CCc1cc(C(C)C)cc(OC)c1OC.
What is the InChIKey of ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene?
The InChIKey is KEAOONYBCDIUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.C2H6/c1-6-10-7-11(9(2)3)8-12(14-4)13(10)15-5;1-2/h7-9H,6H2,1-5H3;1-2H3.
What are the key properties of ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene?
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene has a molecular weight of 238.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene is sourced from PubChem (CID 144562754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).