1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane

C18H30O — CID 144742858

IUPAC1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane
SMILESCC.CCC(C)c1cccc(C(C)C2CC2)c1OC
InChIInChI=1S/C16H24O.C2H6/c1-5-11(2)14-7-6-8-15(16(14)17-4)12(3)13-9-10-13;1-2/h6-8,11-13H,5,9-10H2,1-4H3;1-2H3
InChIKeyMCTRRAZKKHWUPB-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.75
Rot. Bonds5

About 1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane

1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane (PubChem CID 144742858) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane.

Molecular Properties

Compound Name1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane
PubChem CID144742858
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane
SMILESCC.CCC(C)c1cccc(C(C)C2CC2)c1OC
InChIInChI=1S/C16H24O.C2H6/c1-5-11(2)14-7-6-8-15(16(14)17-4)12(3)13-9-10-13;1-2/h6-8,11-13H,5,9-10H2,1-4H3;1-2H3
InChIKeyMCTRRAZKKHWUPB-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene
CID 118911595
2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane
CID 144742837
[2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite
CID 139310380
1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene
CID 130323975
propan-2-yl (2S)-2-[[[2-butan-2-yl-6-[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]propanoate
CID 130324027
1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene
CID 118911669
1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene
CID 118951939
2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol
CID 144742852
disodium;[2-[(1S)-1-cyclopropylethyl]-6-[(1R)-1-cyclopropylethyl]phenoxy]methyl phosphate
CID 118899012
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] hydrogen carbonate
CID 118899055

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane?
The IUPAC name of 1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane (CID 144742858) is 1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane.
What is the SMILES notation for 1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane?
The canonical SMILES for 1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane is CC.CCC(C)c1cccc(C(C)C2CC2)c1OC.
What is the InChIKey of 1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane?
The InChIKey is MCTRRAZKKHWUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O.C2H6/c1-5-11(2)14-7-6-8-15(16(14)17-4)12(3)13-9-10-13;1-2/h6-8,11-13H,5,9-10H2,1-4H3;1-2H3.
What are the key properties of 1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane?
1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane has a molecular weight of 262.44 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane is sourced from PubChem (CID 144742858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).