4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane

C15H22O — CID 143989160

IUPAC4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane
SMILESCC.COc1ccc(C(C)=C2CC2)cc1C
InChIInChI=1S/C13H16O.C2H6/c1-9-8-12(6-7-13(9)14-3)10(2)11-4-5-11;1-2/h6-8H,4-5H2,1-3H3;1-2H3
InChIKeyQVBGLKCKSZSPJU-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.60
Rot. Bonds2

About 4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane

4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane (PubChem CID 143989160) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane.

Molecular Properties

Compound Name4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane
PubChem CID143989160
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane
SMILESCC.COc1ccc(C(C)=C2CC2)cc1C
InChIInChI=1S/C13H16O.C2H6/c1-9-8-12(6-7-13(9)14-3)10(2)11-4-5-11;1-2/h6-8H,4-5H2,1-3H3;1-2H3
InChIKeyQVBGLKCKSZSPJU-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one
CID 116920244
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
2-(4-methoxy-3-methylphenyl)-2-oxoacetaldehyde
CID 83529774
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 15324535
(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 121187072
(4-hydroxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 70142361
1-(4-methoxy-3-methylphenyl)prop-2-en-1-one
CID 12610098
4-methoxy-3-methylbenzoyl cyanide
CID 116918931
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one
CID 116920361
N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine
CID 142928998

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane?
The IUPAC name of 4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane (CID 143989160) is 4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane.
What is the SMILES notation for 4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane?
The canonical SMILES for 4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane is CC.COc1ccc(C(C)=C2CC2)cc1C.
What is the InChIKey of 4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane?
The InChIKey is QVBGLKCKSZSPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O.C2H6/c1-9-8-12(6-7-13(9)14-3)10(2)11-4-5-11;1-2/h6-8H,4-5H2,1-3H3;1-2H3.
What are the key properties of 4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane?
4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane has a molecular weight of 218.34 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylideneethyl)-1-methoxy-2-methylbenzene;ethane is sourced from PubChem (CID 143989160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).