8-methyl-1-phenyl-2-propan-2-ylazulene

C20H20 — CID 141167204

IUPAC8-methyl-1-phenyl-2-propan-2-ylazulene
SMILESCc1ccccc2cc(C(C)C)c(-c3ccccc3)c1-2
InChIInChI=1S/C20H20/c1-14(2)18-13-17-12-8-7-9-15(3)19(17)20(18)16-10-5-4-6-11-16/h4-14H,1-3H3
InChIKeyGSAVTZWYBDWUHW-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.89
Rot. Bonds2

About 8-methyl-1-phenyl-2-propan-2-ylazulene

8-methyl-1-phenyl-2-propan-2-ylazulene (PubChem CID 141167204) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 8-methyl-1-phenyl-2-propan-2-ylazulene.

Molecular Properties

Compound Name8-methyl-1-phenyl-2-propan-2-ylazulene
PubChem CID141167204
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name8-methyl-1-phenyl-2-propan-2-ylazulene
SMILESCc1ccccc2cc(C(C)C)c(-c3ccccc3)c1-2
InChIInChI=1S/C20H20/c1-14(2)18-13-17-12-8-7-9-15(3)19(17)20(18)16-10-5-4-6-11-16/h4-14H,1-3H3
InChIKeyGSAVTZWYBDWUHW-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-phenyl-2-propan-2-ylazulene?
The IUPAC name of 8-methyl-1-phenyl-2-propan-2-ylazulene (CID 141167204) is 8-methyl-1-phenyl-2-propan-2-ylazulene.
What is the SMILES notation for 8-methyl-1-phenyl-2-propan-2-ylazulene?
The canonical SMILES for 8-methyl-1-phenyl-2-propan-2-ylazulene is Cc1ccccc2cc(C(C)C)c(-c3ccccc3)c1-2.
What is the InChIKey of 8-methyl-1-phenyl-2-propan-2-ylazulene?
The InChIKey is GSAVTZWYBDWUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-14(2)18-13-17-12-8-7-9-15(3)19(17)20(18)16-10-5-4-6-11-16/h4-14H,1-3H3.
What are the key properties of 8-methyl-1-phenyl-2-propan-2-ylazulene?
8-methyl-1-phenyl-2-propan-2-ylazulene has a molecular weight of 260.38 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-phenyl-2-propan-2-ylazulene is sourced from PubChem (CID 141167204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).