1-(cyclopropylmethyl)-4-methylbenzene

C11H14 — CID 3282669

IUPAC1-(cyclopropylmethyl)-4-methylbenzene
SMILESCc1ccc(CC2CC2)cc1
InChIInChI=1S/C11H14/c1-9-2-4-10(5-3-9)8-11-6-7-11/h2-5,11H,6-8H2,1H3
InChIKeyNJQOIZNRIZSKBI-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.95
Rot. Bonds2

About 1-(cyclopropylmethyl)-4-methylbenzene

1-(cyclopropylmethyl)-4-methylbenzene (PubChem CID 3282669) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-methylbenzene
PubChem CID3282669
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name1-(cyclopropylmethyl)-4-methylbenzene
SMILESCc1ccc(CC2CC2)cc1
InChIInChI=1S/C11H14/c1-9-2-4-10(5-3-9)8-11-6-7-11/h2-5,11H,6-8H2,1H3
InChIKeyNJQOIZNRIZSKBI-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-methylbenzene?
The IUPAC name of 1-(cyclopropylmethyl)-4-methylbenzene (CID 3282669) is 1-(cyclopropylmethyl)-4-methylbenzene.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-methylbenzene?
The canonical SMILES for 1-(cyclopropylmethyl)-4-methylbenzene is Cc1ccc(CC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-methylbenzene?
The InChIKey is NJQOIZNRIZSKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-9-2-4-10(5-3-9)8-11-6-7-11/h2-5,11H,6-8H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-methylbenzene?
1-(cyclopropylmethyl)-4-methylbenzene has a molecular weight of 146.23 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-methylbenzene is sourced from PubChem (CID 3282669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).