3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene

C21H20 — CID 154714031

IUPAC3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene
SMILESCC1=CCC2(c3ccc(C)cc3)Cc3ccccc3C=C12
InChIInChI=1S/C21H20/c1-15-7-9-19(10-8-15)21-12-11-16(2)20(21)13-17-5-3-4-6-18(17)14-21/h3-11,13H,12,14H2,1-2H3
InChIKeyIIJIGSYQWCWGHZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.22
Rot. Bonds1

About 3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene

3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene (PubChem CID 154714031) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene.

Molecular Properties

Compound Name3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene
PubChem CID154714031
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene
SMILESCC1=CCC2(c3ccc(C)cc3)Cc3ccccc3C=C12
InChIInChI=1S/C21H20/c1-15-7-9-19(10-8-15)21-12-11-16(2)20(21)13-17-5-3-4-6-18(17)14-21/h3-11,13H,12,14H2,1-2H3
InChIKeyIIJIGSYQWCWGHZ-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene?
The IUPAC name of 3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene (CID 154714031) is 3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene.
What is the SMILES notation for 3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene?
The canonical SMILES for 3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene is CC1=CCC2(c3ccc(C)cc3)Cc3ccccc3C=C12.
What is the InChIKey of 3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene?
The InChIKey is IIJIGSYQWCWGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-15-7-9-19(10-8-15)21-12-11-16(2)20(21)13-17-5-3-4-6-18(17)14-21/h3-11,13H,12,14H2,1-2H3.
What are the key properties of 3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene?
3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene has a molecular weight of 272.39 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9a-(4-methylphenyl)-1,9-dihydrocyclopenta[b]naphthalene is sourced from PubChem (CID 154714031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).