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

C12H18O — CID 118500678

IUPAC2-ethyl-1-methoxy-3,4,5-trimethylbenzene
SMILESCCc1c(OC)cc(C)c(C)c1C
InChIInChI=1S/C12H18O/c1-6-11-10(4)9(3)8(2)7-12(11)13-5/h7H,6H2,1-5H3
InChIKeyYMFGIFDLQDDPOE-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.18
Rot. Bonds2

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

2-ethyl-1-methoxy-3,4,5-trimethylbenzene (PubChem CID 118500678) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-ethyl-1-methoxy-3,4,5-trimethylbenzene.

Molecular Properties

Compound Name2-ethyl-1-methoxy-3,4,5-trimethylbenzene
PubChem CID118500678
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-ethyl-1-methoxy-3,4,5-trimethylbenzene
SMILESCCc1c(OC)cc(C)c(C)c1C
InChIInChI=1S/C12H18O/c1-6-11-10(4)9(3)8(2)7-12(11)13-5/h7H,6H2,1-5H3
InChIKeyYMFGIFDLQDDPOE-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

2,3-diethyl-4-methoxy-6-methylphenol
CID 162375144
3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane
CID 166461086
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
2-ethyl-5-iodo-1,3-dimethoxybenzene
CID 118819025
(3-methoxy-2,5,6-trimethylphenyl)methanol
CID 130125367
3-ethyl-2,4-dimethoxy-6-methylbenzoic acid
CID 86188717
4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole
CID 170292106
2-ethyl-3-methoxy-8-methylnaphthalen-1-ol
CID 14616022
2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
CID 117300572
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine
CID 115259506
2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene
CID 22754053
4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol
CID 82482793

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methoxy-3,4,5-trimethylbenzene?
The IUPAC name of 2-ethyl-1-methoxy-3,4,5-trimethylbenzene (CID 118500678) is 2-ethyl-1-methoxy-3,4,5-trimethylbenzene.
What is the SMILES notation for 2-ethyl-1-methoxy-3,4,5-trimethylbenzene?
The canonical SMILES for 2-ethyl-1-methoxy-3,4,5-trimethylbenzene is CCc1c(OC)cc(C)c(C)c1C.
What is the InChIKey of 2-ethyl-1-methoxy-3,4,5-trimethylbenzene?
The InChIKey is YMFGIFDLQDDPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-6-11-10(4)9(3)8(2)7-12(11)13-5/h7H,6H2,1-5H3.
What are the key properties of 2-ethyl-1-methoxy-3,4,5-trimethylbenzene?
2-ethyl-1-methoxy-3,4,5-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 2-ethyl-1-methoxy-3,4,5-trimethylbenzene is sourced from PubChem (CID 118500678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).