1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene

C17H18 — CID 102584248

IUPAC1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
SMILESCc1ccc([C@H](C)/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H18/c1-14-8-12-17(13-9-14)15(2)10-11-16-6-4-3-5-7-16/h3-13,15H,1-2H3/b11-10+/t15-/m1/s1
InChIKeyUQHGLBGARZZSBF-AUECHBEKSA-N
MW222.33 g/mol
LogP4.81
Rot. Bonds3

About 1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene

1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene (PubChem CID 102584248) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
PubChem CID102584248
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
SMILESCc1ccc([C@H](C)/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H18/c1-14-8-12-17(13-9-14)15(2)10-11-16-6-4-3-5-7-16/h3-13,15H,1-2H3/b11-10+/t15-/m1/s1
InChIKeyUQHGLBGARZZSBF-AUECHBEKSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene?
The IUPAC name of 1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene (CID 102584248) is 1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene is Cc1ccc([C@H](C)/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene?
The InChIKey is UQHGLBGARZZSBF-AUECHBEKSA-N. The full InChI is InChI=1S/C17H18/c1-14-8-12-17(13-9-14)15(2)10-11-16-6-4-3-5-7-16/h3-13,15H,1-2H3/b11-10+/t15-/m1/s1.
What are the key properties of 1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene?
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene has a molecular weight of 222.33 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene is sourced from PubChem (CID 102584248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).