1-(2-ethylhexyl)-2-methoxybenzene

C15H24O — CID 160716483

IUPAC1-(2-ethylhexyl)-2-methoxybenzene
SMILESCCCCC(CC)Cc1ccccc1OC
InChIInChI=1S/C15H24O/c1-4-6-9-13(5-2)12-14-10-7-8-11-15(14)16-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKeyRSNPYPPVRHTHFY-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.45
Rot. Bonds7

About 1-(2-ethylhexyl)-2-methoxybenzene

1-(2-ethylhexyl)-2-methoxybenzene (PubChem CID 160716483) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(2-ethylhexyl)-2-methoxybenzene
PubChem CID160716483
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-(2-ethylhexyl)-2-methoxybenzene
SMILESCCCCC(CC)Cc1ccccc1OC
InChIInChI=1S/C15H24O/c1-4-6-9-13(5-2)12-14-10-7-8-11-15(14)16-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKeyRSNPYPPVRHTHFY-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-2-methoxybenzene?
The IUPAC name of 1-(2-ethylhexyl)-2-methoxybenzene (CID 160716483) is 1-(2-ethylhexyl)-2-methoxybenzene.
What is the SMILES notation for 1-(2-ethylhexyl)-2-methoxybenzene?
The canonical SMILES for 1-(2-ethylhexyl)-2-methoxybenzene is CCCCC(CC)Cc1ccccc1OC.
What is the InChIKey of 1-(2-ethylhexyl)-2-methoxybenzene?
The InChIKey is RSNPYPPVRHTHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-6-9-13(5-2)12-14-10-7-8-11-15(14)16-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3.
What are the key properties of 1-(2-ethylhexyl)-2-methoxybenzene?
1-(2-ethylhexyl)-2-methoxybenzene has a molecular weight of 220.36 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-2-methoxybenzene is sourced from PubChem (CID 160716483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).