1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene

C20H24 — CID 162348170

IUPAC1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene
SMILESCC(C)Cc1ccc(C=CC(C)c2ccccc2)cc1
InChIInChI=1S/C20H24/c1-16(2)15-19-13-11-18(12-14-19)10-9-17(3)20-7-5-4-6-8-20/h4-14,16-17H,15H2,1-3H3
InChIKeyXZXIAXQCBGEKLT-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.70
Rot. Bonds5

About 1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene

1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene (PubChem CID 162348170) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene
PubChem CID162348170
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene
SMILESCC(C)Cc1ccc(C=CC(C)c2ccccc2)cc1
InChIInChI=1S/C20H24/c1-16(2)15-19-13-11-18(12-14-19)10-9-17(3)20-7-5-4-6-8-20/h4-14,16-17H,15H2,1-3H3
InChIKeyXZXIAXQCBGEKLT-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene
CID 11288169
1-bromo-4-(3-phenylbut-1-enyl)benzene
CID 162347455
1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene
CID 177383855
1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene
CID 102073243
1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene
CID 139679614
1-(2-methylpropyl)-4-[(Z)-prop-1-enyl]benzene
CID 142899805
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
CID 19010746
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
ethane;2-methylpropylbenzene
CID 162200929
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene?
The IUPAC name of 1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene (CID 162348170) is 1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene.
What is the SMILES notation for 1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene?
The canonical SMILES for 1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene is CC(C)Cc1ccc(C=CC(C)c2ccccc2)cc1.
What is the InChIKey of 1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene?
The InChIKey is XZXIAXQCBGEKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-16(2)15-19-13-11-18(12-14-19)10-9-17(3)20-7-5-4-6-8-20/h4-14,16-17H,15H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene?
1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene has a molecular weight of 264.41 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene is sourced from PubChem (CID 162348170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).