ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene

C15H24O — CID 143245985

IUPACethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene
SMILESC=C(OC)c1cccc(CC(C)C)c1.CC
InChIInChI=1S/C13H18O.C2H6/c1-10(2)8-12-6-5-7-13(9-12)11(3)14-4;1-2/h5-7,9-10H,3,8H2,1-2,4H3;1-2H3
InChIKeyIFWJYIVWWYXDSB-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.53
Rot. Bonds4

About ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene

ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene (PubChem CID 143245985) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene.

Molecular Properties

Compound Nameethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene
PubChem CID143245985
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Nameethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene
SMILESC=C(OC)c1cccc(CC(C)C)c1.CC
InChIInChI=1S/C13H18O.C2H6/c1-10(2)8-12-6-5-7-13(9-12)11(3)14-4;1-2/h5-7,9-10H,3,8H2,1-2,4H3;1-2H3
InChIKeyIFWJYIVWWYXDSB-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene 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

3-(2-methylpropyl)benzamide
CID 23130390
fluoro 3-(2-methylpropyl)benzoate
CID 176661814
3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 116543141
N,3-bis(2-methylpropyl)benzamide
CID 176945198
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N,N-dimethyl-3-(2-methylpropyl)benzenecarbothioamide
CID 23333039
2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543131
2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
CID 116551357
(2R)-2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
CID 104891234
(E)-1-[3-(2-methylpropyl)phenyl]but-2-en-1-one
CID 103453516
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene?
The IUPAC name of ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene (CID 143245985) is ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene.
What is the SMILES notation for ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene?
The canonical SMILES for ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene is C=C(OC)c1cccc(CC(C)C)c1.CC.
What is the InChIKey of ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene?
The InChIKey is IFWJYIVWWYXDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C2H6/c1-10(2)8-12-6-5-7-13(9-12)11(3)14-4;1-2/h5-7,9-10H,3,8H2,1-2,4H3;1-2H3.
What are the key properties of ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene?
ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene has a molecular weight of 220.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methoxyethenyl)-3-(2-methylpropyl)benzene is sourced from PubChem (CID 143245985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).