9-(2-methylprop-1-enyl)anthracene

C18H16 — CID 59708728

IUPAC9-(2-methylprop-1-enyl)anthracene
SMILESCC(C)=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H16/c1-13(2)11-18-16-9-5-3-7-14(16)12-15-8-4-6-10-17(15)18/h3-12H,1-2H3
InChIKeySBJWVRKKICEOQY-UHFFFAOYSA-N
MW232.33 g/mol
LogP5.42
Rot. Bonds1

About 9-(2-methylprop-1-enyl)anthracene

9-(2-methylprop-1-enyl)anthracene (PubChem CID 59708728) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 9-(2-methylprop-1-enyl)anthracene.

Molecular Properties

Compound Name9-(2-methylprop-1-enyl)anthracene
PubChem CID59708728
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name9-(2-methylprop-1-enyl)anthracene
SMILESCC(C)=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H16/c1-13(2)11-18-16-9-5-3-7-14(16)12-15-8-4-6-10-17(15)18/h3-12H,1-2H3
InChIKeySBJWVRKKICEOQY-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.33
LogP ≤ 55.42
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

9-[(Z)-2-methylsulfinyl-2-methylsulfonylethenyl]anthracene
CID 177460731
(NZ)-N-(anthracen-9-ylmethylidene)hydroxylamine
CID 5355154
(3E,5E)-6-anthracen-9-ylhexa-3,5-dien-2-one
CID 15507546
(E,2R)-4-anthracen-9-ylbut-3-en-2-ol
CID 102394494
9-pent-1-enylanthracene
CID 173045692
S-(3-anthracen-9-ylprop-2-enyl) ethanethioate
CID 169458206
1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene
CID 142129554
N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 20831549
3-anthracen-9-ylbut-2-enal
CID 174857112
9-methylanthracene;naphthalene
CID 142881908
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
5-(anthracen-9-ylmethylidene)-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3897593

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylprop-1-enyl)anthracene?
The IUPAC name of 9-(2-methylprop-1-enyl)anthracene (CID 59708728) is 9-(2-methylprop-1-enyl)anthracene.
What is the SMILES notation for 9-(2-methylprop-1-enyl)anthracene?
The canonical SMILES for 9-(2-methylprop-1-enyl)anthracene is CC(C)=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-(2-methylprop-1-enyl)anthracene?
The InChIKey is SBJWVRKKICEOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-13(2)11-18-16-9-5-3-7-14(16)12-15-8-4-6-10-17(15)18/h3-12H,1-2H3.
What are the key properties of 9-(2-methylprop-1-enyl)anthracene?
9-(2-methylprop-1-enyl)anthracene has a molecular weight of 232.33 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylprop-1-enyl)anthracene is sourced from PubChem (CID 59708728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).