ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene

C14H24O — CID 166091157

IUPACethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
SMILESCC.CCc1ccc(C(C)C)cc1OC
InChIInChI=1S/C12H18O.C2H6/c1-5-10-6-7-11(9(2)3)8-12(10)13-4;1-2/h6-9H,5H2,1-4H3;1-2H3
InChIKeyQKJCOGDGXMVSIE-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.41
Rot. Bonds3

About ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene

ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene (PubChem CID 166091157) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
PubChem CID166091157
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Nameethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
SMILESCC.CCc1ccc(C(C)C)cc1OC
InChIInChI=1S/C12H18O.C2H6/c1-5-10-6-7-11(9(2)3)8-12(10)13-4;1-2/h6-9H,5H2,1-4H3;1-2H3
InChIKeyQKJCOGDGXMVSIE-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine
CID 112513250
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754
ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate
CID 110782911
1-(2,2-difluoropropoxymethyl)-2-methoxy-4-propan-2-ylbenzene
CID 118188287
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-N-methylethanamine
CID 115262400
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194650
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide
CID 110789542
1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one
CID 115234731
N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine
CID 115258703

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene?
The IUPAC name of ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene (CID 166091157) is ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene.
What is the SMILES notation for ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene?
The canonical SMILES for ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene is CC.CCc1ccc(C(C)C)cc1OC.
What is the InChIKey of ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene?
The InChIKey is QKJCOGDGXMVSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C2H6/c1-5-10-6-7-11(9(2)3)8-12(10)13-4;1-2/h6-9H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene?
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene has a molecular weight of 208.34 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 166091157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).