1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene

C24H24 — CID 140698702

IUPAC1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene
SMILESC=C(Cc1ccccc1)c1ccccc1CCc1ccc(C)cc1
InChIInChI=1S/C24H24/c1-19-12-14-21(15-13-19)16-17-23-10-6-7-11-24(23)20(2)18-22-8-4-3-5-9-22/h3-15H,2,16-18H2,1H3
InChIKeyDREACFUVZXONTM-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.04
Rot. Bonds6

About 1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene

1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene (PubChem CID 140698702) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene
PubChem CID140698702
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene
SMILESC=C(Cc1ccccc1)c1ccccc1CCc1ccc(C)cc1
InChIInChI=1S/C24H24/c1-19-12-14-21(15-13-19)16-17-23-10-6-7-11-24(23)20(2)18-22-8-4-3-5-9-22/h3-15H,2,16-18H2,1H3
InChIKeyDREACFUVZXONTM-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene?
The IUPAC name of 1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene (CID 140698702) is 1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene?
The canonical SMILES for 1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene is C=C(Cc1ccccc1)c1ccccc1CCc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene?
The InChIKey is DREACFUVZXONTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-19-12-14-21(15-13-19)16-17-23-10-6-7-11-24(23)20(2)18-22-8-4-3-5-9-22/h3-15H,2,16-18H2,1H3.
What are the key properties of 1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene?
1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene has a molecular weight of 312.46 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene is sourced from PubChem (CID 140698702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).