1-ethyl-4-methoxy-2,3,5-trimethylbenzene

C12H18O — CID 20747709

IUPAC1-ethyl-4-methoxy-2,3,5-trimethylbenzene
SMILESCCc1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C12H18O/c1-6-11-7-8(2)12(13-5)10(4)9(11)3/h7H,6H2,1-5H3
InChIKeyIWDUXWFDKRXQKN-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.18
Rot. Bonds2

About 1-ethyl-4-methoxy-2,3,5-trimethylbenzene

1-ethyl-4-methoxy-2,3,5-trimethylbenzene (PubChem CID 20747709) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-ethyl-4-methoxy-2,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-ethyl-4-methoxy-2,3,5-trimethylbenzene
PubChem CID20747709
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-ethyl-4-methoxy-2,3,5-trimethylbenzene
SMILESCCc1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C12H18O/c1-6-11-7-8(2)12(13-5)10(4)9(11)3/h7H,6H2,1-5H3
InChIKeyIWDUXWFDKRXQKN-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804
(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 110782878
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
CID 117114492
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate
CID 116931308
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
CID 115175643
2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanenitrile
CID 116931539
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid
CID 115171275
4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid
CID 116926839

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methoxy-2,3,5-trimethylbenzene?
The IUPAC name of 1-ethyl-4-methoxy-2,3,5-trimethylbenzene (CID 20747709) is 1-ethyl-4-methoxy-2,3,5-trimethylbenzene.
What is the SMILES notation for 1-ethyl-4-methoxy-2,3,5-trimethylbenzene?
The canonical SMILES for 1-ethyl-4-methoxy-2,3,5-trimethylbenzene is CCc1cc(C)c(OC)c(C)c1C.
What is the InChIKey of 1-ethyl-4-methoxy-2,3,5-trimethylbenzene?
The InChIKey is IWDUXWFDKRXQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-6-11-7-8(2)12(13-5)10(4)9(11)3/h7H,6H2,1-5H3.
What are the key properties of 1-ethyl-4-methoxy-2,3,5-trimethylbenzene?
1-ethyl-4-methoxy-2,3,5-trimethylbenzene has a molecular weight of 178.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxy-2,3,5-trimethylbenzene is sourced from PubChem (CID 20747709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).