anthracene;1-ethenyl-4-methylbenzene

C23H20 — CID 174555561

IUPACanthracene;1-ethenyl-4-methylbenzene
SMILESC=Cc1ccc(C)cc1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C9H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-9-6-4-8(2)5-7-9/h1-10H;3-7H,1H2,2H3
InChIKeySVZBLRFPEKYSQR-UHFFFAOYSA-N
MW296.41 g/mol
LogP6.63
Rot. Bonds1

About anthracene;1-ethenyl-4-methylbenzene

anthracene;1-ethenyl-4-methylbenzene (PubChem CID 174555561) has the molecular formula C23H20 and a molecular weight of 296.41 g/mol. Its IUPAC name is anthracene;1-ethenyl-4-methylbenzene.

Molecular Properties

Compound Nameanthracene;1-ethenyl-4-methylbenzene
PubChem CID174555561
Molecular FormulaC23H20
Molecular Weight296.41 g/mol
Exact Mass296.16
IUPAC Nameanthracene;1-ethenyl-4-methylbenzene
SMILESC=Cc1ccc(C)cc1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C9H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-9-6-4-8(2)5-7-9/h1-10H;3-7H,1H2,2H3
InChIKeySVZBLRFPEKYSQR-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 56.63
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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Frequently Asked Questions

What is the IUPAC name of anthracene;1-ethenyl-4-methylbenzene?
The IUPAC name of anthracene;1-ethenyl-4-methylbenzene (CID 174555561) is anthracene;1-ethenyl-4-methylbenzene.
What is the SMILES notation for anthracene;1-ethenyl-4-methylbenzene?
The canonical SMILES for anthracene;1-ethenyl-4-methylbenzene is C=Cc1ccc(C)cc1.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;1-ethenyl-4-methylbenzene?
The InChIKey is SVZBLRFPEKYSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C9H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-9-6-4-8(2)5-7-9/h1-10H;3-7H,1H2,2H3.
What are the key properties of anthracene;1-ethenyl-4-methylbenzene?
anthracene;1-ethenyl-4-methylbenzene has a molecular weight of 296.41 g/mol, XLogP of 6.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;1-ethenyl-4-methylbenzene is sourced from PubChem (CID 174555561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).