4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene

C12H16O — CID 58134240

IUPAC4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene
SMILESCOCc1cc(C2CC2)ccc1C
InChIInChI=1S/C12H16O/c1-9-3-4-11(10-5-6-10)7-12(9)8-13-2/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyPWZSVUSYHYQNIG-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.02
Rot. Bonds3

About 4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene

4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene (PubChem CID 58134240) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene.

Molecular Properties

Compound Name4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene
PubChem CID58134240
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene
SMILESCOCc1cc(C2CC2)ccc1C
InChIInChI=1S/C12H16O/c1-9-3-4-11(10-5-6-10)7-12(9)8-13-2/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyPWZSVUSYHYQNIG-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene?
The IUPAC name of 4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene (CID 58134240) is 4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene.
What is the SMILES notation for 4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene?
The canonical SMILES for 4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene is COCc1cc(C2CC2)ccc1C.
What is the InChIKey of 4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene?
The InChIKey is PWZSVUSYHYQNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9-3-4-11(10-5-6-10)7-12(9)8-13-2/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene?
4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene has a molecular weight of 176.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene is sourced from PubChem (CID 58134240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).