1-ethoxy-2-ethyl-3-methoxybenzene

C11H16O2 — CID 155116289

IUPAC1-ethoxy-2-ethyl-3-methoxybenzene
SMILESCCOc1cccc(OC)c1CC
InChIInChI=1S/C11H16O2/c1-4-9-10(12-3)7-6-8-11(9)13-5-2/h6-8H,4-5H2,1-3H3
InChIKeyYHWUXYFPZMZTHV-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.66
Rot. Bonds4

About 1-ethoxy-2-ethyl-3-methoxybenzene

1-ethoxy-2-ethyl-3-methoxybenzene (PubChem CID 155116289) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-ethoxy-2-ethyl-3-methoxybenzene.

Molecular Properties

Compound Name1-ethoxy-2-ethyl-3-methoxybenzene
PubChem CID155116289
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-ethoxy-2-ethyl-3-methoxybenzene
SMILESCCOc1cccc(OC)c1CC
InChIInChI=1S/C11H16O2/c1-4-9-10(12-3)7-6-8-11(9)13-5-2/h6-8H,4-5H2,1-3H3
InChIKeyYHWUXYFPZMZTHV-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine
CID 117301707
1-(2-ethoxy-6-methoxyphenyl)propan-2-ol
CID 117300607
2-ethyl-1,3-bis(methoxymethoxy)benzene
CID 141101427
1-(3-chloropropyl)-3-ethoxy-2-ethylbenzene
CID 118802073
2-ethyl-3-methoxybenzonitrile
CID 91882343
1-(2-ethoxy-6-methoxyphenyl)ethenol
CID 142811438
1-[chloro(phenyl)methyl]-2-ethyl-3-methoxybenzene
CID 150862192
2-amino-2-(2-ethyl-3-methoxyphenyl)ethanol
CID 55269244
2-ethyl-3-methoxybenzenecarbothioamide
CID 91875220
(2-methoxy-6-propoxyphenyl)methanamine
CID 118156685
2-(2-ethyl-6-methoxyphenyl)ethanol
CID 143738643
1-ethenyl-4-[(2-ethyl-3-methoxyphenoxy)methoxy]-2-methoxybenzene
CID 145229509

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-ethyl-3-methoxybenzene?
The IUPAC name of 1-ethoxy-2-ethyl-3-methoxybenzene (CID 155116289) is 1-ethoxy-2-ethyl-3-methoxybenzene.
What is the SMILES notation for 1-ethoxy-2-ethyl-3-methoxybenzene?
The canonical SMILES for 1-ethoxy-2-ethyl-3-methoxybenzene is CCOc1cccc(OC)c1CC.
What is the InChIKey of 1-ethoxy-2-ethyl-3-methoxybenzene?
The InChIKey is YHWUXYFPZMZTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-9-10(12-3)7-6-8-11(9)13-5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-ethoxy-2-ethyl-3-methoxybenzene?
1-ethoxy-2-ethyl-3-methoxybenzene has a molecular weight of 180.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-ethyl-3-methoxybenzene is sourced from PubChem (CID 155116289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).