4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene

C15H22O — CID 171099345

IUPAC4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene
SMILESCCC(C)C1(c2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C15H22O/c1-5-12(3)15(8-9-15)13-7-6-11(2)14(10-13)16-4/h6-7,10,12H,5,8-9H2,1-4H3
InChIKeyHGJANIWGAWYVBZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.08
Rot. Bonds4

About 4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene

4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene (PubChem CID 171099345) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene.

Molecular Properties

Compound Name4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene
PubChem CID171099345
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene
SMILESCCC(C)C1(c2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C15H22O/c1-5-12(3)15(8-9-15)13-7-6-11(2)14(10-13)16-4/h6-7,10,12H,5,8-9H2,1-4H3
InChIKeyHGJANIWGAWYVBZ-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene?
The IUPAC name of 4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene (CID 171099345) is 4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene.
What is the SMILES notation for 4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene?
The canonical SMILES for 4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene is CCC(C)C1(c2ccc(C)c(OC)c2)CC1.
What is the InChIKey of 4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene?
The InChIKey is HGJANIWGAWYVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-12(3)15(8-9-15)13-7-6-11(2)14(10-13)16-4/h6-7,10,12H,5,8-9H2,1-4H3.
What are the key properties of 4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene?
4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene is sourced from PubChem (CID 171099345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).