2-[1-(2,4-dimethylphenyl)propyl]anthracene

C25H24 — CID 141153672

IUPAC2-[1-(2,4-dimethylphenyl)propyl]anthracene
SMILESCCC(c1ccc2cc3ccccc3cc2c1)c1ccc(C)cc1C
InChIInChI=1S/C25H24/c1-4-24(25-12-9-17(2)13-18(25)3)22-11-10-21-14-19-7-5-6-8-20(19)15-23(21)16-22/h5-16,24H,4H2,1-3H3
InChIKeyOLRUICMBNGPYGF-UHFFFAOYSA-N
MW324.47 g/mol
LogP7.15
Rot. Bonds3

About 2-[1-(2,4-dimethylphenyl)propyl]anthracene

2-[1-(2,4-dimethylphenyl)propyl]anthracene (PubChem CID 141153672) has the molecular formula C25H24 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)propyl]anthracene.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)propyl]anthracene
PubChem CID141153672
Molecular FormulaC25H24
Molecular Weight324.47 g/mol
Exact Mass324.19
IUPAC Name2-[1-(2,4-dimethylphenyl)propyl]anthracene
SMILESCCC(c1ccc2cc3ccccc3cc2c1)c1ccc(C)cc1C
InChIInChI=1S/C25H24/c1-4-24(25-12-9-17(2)13-18(25)3)22-11-10-21-14-19-7-5-6-8-20(19)15-23(21)16-22/h5-16,24H,4H2,1-3H3
InChIKeyOLRUICMBNGPYGF-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

butane;2-methylanthracene
CID 90696557
2-butan-2-yl-9-methylpentacene
CID 20764702
2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 115354342
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene
CID 19077007
benzene;2-methylnaphthalene
CID 159438891
2,6-dimethylnaphthalene;propane
CID 142191183
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106857455
2-propan-2-ylpentacene
CID 153380535
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)propyl]anthracene?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)propyl]anthracene (CID 141153672) is 2-[1-(2,4-dimethylphenyl)propyl]anthracene.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)propyl]anthracene?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)propyl]anthracene is CCC(c1ccc2cc3ccccc3cc2c1)c1ccc(C)cc1C.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)propyl]anthracene?
The InChIKey is OLRUICMBNGPYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24/c1-4-24(25-12-9-17(2)13-18(25)3)22-11-10-21-14-19-7-5-6-8-20(19)15-23(21)16-22/h5-16,24H,4H2,1-3H3.
What are the key properties of 2-[1-(2,4-dimethylphenyl)propyl]anthracene?
2-[1-(2,4-dimethylphenyl)propyl]anthracene has a molecular weight of 324.47 g/mol, XLogP of 7.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)propyl]anthracene is sourced from PubChem (CID 141153672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).