1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene

C19H22O — CID 77053007

IUPAC1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
SMILESCC(C)(C)c1ccccc1OCC=Cc1ccccc1
InChIInChI=1S/C19H22O/c1-19(2,3)17-13-7-8-14-18(17)20-15-9-12-16-10-5-4-6-11-16/h4-14H,15H2,1-3H3
InChIKeyFMNVDFLQQYLBEK-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.08
Rot. Bonds4

About 1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene

1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene (PubChem CID 77053007) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
PubChem CID77053007
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
SMILESCC(C)(C)c1ccccc1OCC=Cc1ccccc1
InChIInChI=1S/C19H22O/c1-19(2,3)17-13-7-8-14-18(17)20-15-9-12-16-10-5-4-6-11-16/h4-14H,15H2,1-3H3
InChIKeyFMNVDFLQQYLBEK-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-2-prop-2-enoxybenzene
CID 637356
2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide
CID 77016973
2-[2-(2-hydroxypropan-2-yl)phenyl]-3-(3-phenylprop-2-enoxy)phenol
CID 177248583
1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
CID 11198459
(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936519
8-[(E)-3-phenylprop-2-enoxy]quinoline
CID 66545724
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
N-[2-[(E)-3-phenylprop-2-enoxy]phenyl]acetamide
CID 13123868
2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol
CID 12072336
4-fluoro-2-nitroso-1-[(Z)-3-phenylprop-2-enoxy]benzene
CID 89128134
[2-(3-phenylprop-2-enoxy)phenyl]methanimine
CID 173167244

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene?
The IUPAC name of 1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene (CID 77053007) is 1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene.
What is the SMILES notation for 1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene?
The canonical SMILES for 1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene is CC(C)(C)c1ccccc1OCC=Cc1ccccc1.
What is the InChIKey of 1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene?
The InChIKey is FMNVDFLQQYLBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-19(2,3)17-13-7-8-14-18(17)20-15-9-12-16-10-5-4-6-11-16/h4-14H,15H2,1-3H3.
What are the key properties of 1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene?
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene has a molecular weight of 266.38 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene is sourced from PubChem (CID 77053007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).