4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene

C13H18O — CID 118268967

IUPAC4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene
SMILESCc1cc(C2CC2)ccc1OC(C)C
InChIInChI=1S/C13H18O/c1-9(2)14-13-7-6-12(8-10(13)3)11-4-5-11/h6-9,11H,4-5H2,1-3H3
InChIKeyCNMKZUFAYKBDBS-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.66
Rot. Bonds3

About 4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene

4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene (PubChem CID 118268967) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene
PubChem CID118268967
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene
SMILESCc1cc(C2CC2)ccc1OC(C)C
InChIInChI=1S/C13H18O/c1-9(2)14-13-7-6-12(8-10(13)3)11-4-5-11/h6-9,11H,4-5H2,1-3H3
InChIKeyCNMKZUFAYKBDBS-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene?
The IUPAC name of 4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene (CID 118268967) is 4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene.
What is the SMILES notation for 4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene?
The canonical SMILES for 4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene is Cc1cc(C2CC2)ccc1OC(C)C.
What is the InChIKey of 4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene?
The InChIKey is CNMKZUFAYKBDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9(2)14-13-7-6-12(8-10(13)3)11-4-5-11/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene?
4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene has a molecular weight of 190.29 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene is sourced from PubChem (CID 118268967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).