1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene

C17H24O — CID 118911669

IUPAC1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene
SMILESCOc1c(C(C)C2CC2)cccc1C1(C)CC1C
InChIInChI=1S/C17H24O/c1-11-10-17(11,3)15-7-5-6-14(16(15)18-4)12(2)13-8-9-13/h5-7,11-13H,8-10H2,1-4H3
InChIKeyADQZRBCAYNXTRS-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.51
Rot. Bonds4

About 1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene

1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene (PubChem CID 118911669) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene
PubChem CID118911669
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene
SMILESCOc1c(C(C)C2CC2)cccc1C1(C)CC1C
InChIInChI=1S/C17H24O/c1-11-10-17(11,3)15-7-5-6-14(16(15)18-4)12(2)13-8-9-13/h5-7,11-13H,8-10H2,1-4H3
InChIKeyADQZRBCAYNXTRS-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene (CID 118911669) is 1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene is COc1c(C(C)C2CC2)cccc1C1(C)CC1C.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene?
The InChIKey is ADQZRBCAYNXTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-11-10-17(11,3)15-7-5-6-14(16(15)18-4)12(2)13-8-9-13/h5-7,11-13H,8-10H2,1-4H3.
What are the key properties of 1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene?
1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene has a molecular weight of 244.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene is sourced from PubChem (CID 118911669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).