1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene

C14H20O — CID 146686998

IUPAC1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene
SMILESC=C(OCC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H20O/c1-5-15-12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11H,4-5,10H2,1-3H3
InChIKeyPSTZTAQVJAPROO-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.89
Rot. Bonds5

About 1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene

1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene (PubChem CID 146686998) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene
PubChem CID146686998
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene
SMILESC=C(OCC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H20O/c1-5-15-12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11H,4-5,10H2,1-3H3
InChIKeyPSTZTAQVJAPROO-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 10176333
4-(1-ethoxyethenyl)aniline
CID 90447713
ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 144516269
2-methylpropyl N-[(2S)-1-[4-(1-ethoxyethenyl)phenyl]-4-hydroxybutan-2-yl]carbamate
CID 69183987
1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine
CID 165469702
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide
CID 89135169
amino 4-(2-methylpropyl)benzoate
CID 163714335
4-(1-ethoxyethenyl)benzaldehyde
CID 86025539
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate
CID 135062979
ethenol;1-methyl-4-(2-methylpropyl)benzene
CID 163264631

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene?
The IUPAC name of 1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene (CID 146686998) is 1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene is C=C(OCC)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene?
The InChIKey is PSTZTAQVJAPROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-15-12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene?
1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene has a molecular weight of 204.31 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene is sourced from PubChem (CID 146686998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).