1-(2-phenylpropyl)-1H-phenalene

C22H20 — CID 175272524

IUPAC1-(2-phenylpropyl)-1H-phenalene
SMILESCC(CC1C=Cc2cccc3cccc1c23)c1ccccc1
InChIInChI=1S/C22H20/c1-16(17-7-3-2-4-8-17)15-20-14-13-19-10-5-9-18-11-6-12-21(20)22(18)19/h2-14,16,20H,15H2,1H3
InChIKeyVJDSHBGUKBOHMK-UHFFFAOYSA-N
MW284.40 g/mol
LogP6.14
Rot. Bonds3

About 1-(2-phenylpropyl)-1H-phenalene

1-(2-phenylpropyl)-1H-phenalene (PubChem CID 175272524) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2-phenylpropyl)-1H-phenalene.

Molecular Properties

Compound Name1-(2-phenylpropyl)-1H-phenalene
PubChem CID175272524
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name1-(2-phenylpropyl)-1H-phenalene
SMILESCC(CC1C=Cc2cccc3cccc1c23)c1ccccc1
InChIInChI=1S/C22H20/c1-16(17-7-3-2-4-8-17)15-20-14-13-19-10-5-9-18-11-6-12-21(20)22(18)19/h2-14,16,20H,15H2,1H3
InChIKeyVJDSHBGUKBOHMK-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropyl)-1H-phenalene?
The IUPAC name of 1-(2-phenylpropyl)-1H-phenalene (CID 175272524) is 1-(2-phenylpropyl)-1H-phenalene.
What is the SMILES notation for 1-(2-phenylpropyl)-1H-phenalene?
The canonical SMILES for 1-(2-phenylpropyl)-1H-phenalene is CC(CC1C=Cc2cccc3cccc1c23)c1ccccc1.
What is the InChIKey of 1-(2-phenylpropyl)-1H-phenalene?
The InChIKey is VJDSHBGUKBOHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20/c1-16(17-7-3-2-4-8-17)15-20-14-13-19-10-5-9-18-11-6-12-21(20)22(18)19/h2-14,16,20H,15H2,1H3.
What are the key properties of 1-(2-phenylpropyl)-1H-phenalene?
1-(2-phenylpropyl)-1H-phenalene has a molecular weight of 284.40 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropyl)-1H-phenalene is sourced from PubChem (CID 175272524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).