3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene

C19H18 — CID 3047213

IUPAC3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene
SMILESCc1c2ccccc2cc2c3c(ccc12)C(C)CC3
InChIInChI=1S/C19H18/c1-12-7-8-18-15(12)9-10-17-13(2)16-6-4-3-5-14(16)11-19(17)18/h3-6,9-12H,7-8H2,1-2H3
InChIKeyFQLXHPIAVANCEN-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.35
Rot. Bonds

About 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene

3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene (PubChem CID 3047213) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene.

Molecular Properties

Compound Name3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene
PubChem CID3047213
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene
SMILESCc1c2ccccc2cc2c3c(ccc12)C(C)CC3
InChIInChI=1S/C19H18/c1-12-7-8-18-15(12)9-10-17-13(2)16-6-4-3-5-14(16)11-19(17)18/h3-6,9-12H,7-8H2,1-2H3
InChIKeyFQLXHPIAVANCEN-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.35
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

Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene?
The IUPAC name of 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene (CID 3047213) is 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene.
What is the SMILES notation for 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene?
The canonical SMILES for 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene is Cc1c2ccccc2cc2c3c(ccc12)C(C)CC3.
What is the InChIKey of 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene?
The InChIKey is FQLXHPIAVANCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-12-7-8-18-15(12)9-10-17-13(2)16-6-4-3-5-14(16)11-19(17)18/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene?
3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene has a molecular weight of 246.35 g/mol, XLogP of 5.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene is sourced from PubChem (CID 3047213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).