1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene

C14H20O — CID 54025707

IUPAC1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC=CCc1cccc(OC(C)(C)C)c1
InChIInChI=1S/C14H20O/c1-5-6-8-12-9-7-10-13(11-12)15-14(2,3)4/h5-7,9-11H,8H2,1-4H3
InChIKeyZVFRZRYVPMVDME-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.98
Rot. Bonds3

About 1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene

1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 54025707) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID54025707
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC=CCc1cccc(OC(C)(C)C)c1
InChIInChI=1S/C14H20O/c1-5-6-8-12-9-7-10-13(11-12)15-14(2,3)4/h5-7,9-11H,8H2,1-4H3
InChIKeyZVFRZRYVPMVDME-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-but-2-enyl]-3-phenoxybenzene
CID 23463492
[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
CID 126802306
2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol
CID 14794070
1-but-2-enyl-3-(methoxymethyl)benzene
CID 175299095
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331
4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
CID 110460827
2-[[3-[(E)-but-2-enyl]phenoxy]methyl]-2-methyloxirane
CID 101312434
3-[(2-methylpropan-2-yl)oxy]aniline
CID 19389149
N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 55148751
1-methoxy-3-(3-phosphorosoprop-2-enyl)benzene
CID 139647655
1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 11298360
1-[3-[(2-methylpropan-2-yl)oxy]phenoxy]propan-1-amine
CID 67825712

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene (CID 54025707) is 1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene is CC=CCc1cccc(OC(C)(C)C)c1.
What is the InChIKey of 1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is ZVFRZRYVPMVDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-6-8-12-9-7-10-13(11-12)15-14(2,3)4/h5-7,9-11H,8H2,1-4H3.
What are the key properties of 1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene?
1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 204.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 54025707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).