2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene

C13H20O2 — CID 59637085

IUPAC2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene
SMILESCCOc1cc(C)ccc1OC(C)(C)C
InChIInChI=1S/C13H20O2/c1-6-14-12-9-10(2)7-8-11(12)15-13(3,4)5/h7-9H,6H2,1-5H3
InChIKeyRVGRWLPRHOWMRU-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.57
Rot. Bonds3

About 2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene

2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 59637085) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID59637085
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene
SMILESCCOc1cc(C)ccc1OC(C)(C)C
InChIInChI=1S/C13H20O2/c1-6-14-12-9-10(2)7-8-11(12)15-13(3,4)5/h7-9H,6H2,1-5H3
InChIKeyRVGRWLPRHOWMRU-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 67422978
CID 67422978
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
2-bromo-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene
CID 117058856
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene
CID 63444274
1,2-bis(fluoromethoxy)-4-methylbenzene
CID 57206944
3-(2-ethoxy-5-methylphenyl)prop-2-enoic acid
CID 77011473
4-(4-chloro-2-methylbutan-2-yl)-1,2-diethoxybenzene
CID 79838006
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene (CID 59637085) is 2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene is CCOc1cc(C)ccc1OC(C)(C)C.
What is the InChIKey of 2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is RVGRWLPRHOWMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-6-14-12-9-10(2)7-8-11(12)15-13(3,4)5/h7-9H,6H2,1-5H3.
What are the key properties of 2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene?
2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 208.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 59637085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).