8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene

C21H20O — CID 67522462

IUPAC8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene
SMILESCc1ccc2c(c1)COc1c-2ccc2cc(C(C)C)ccc12
InChIInChI=1S/C21H20O/c1-13(2)15-5-8-19-16(11-15)6-9-20-18-7-4-14(3)10-17(18)12-22-21(19)20/h4-11,13H,12H2,1-3H3
InChIKeyCJMVRGVTLXOCLC-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.83
Rot. Bonds1

About 8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene

8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene (PubChem CID 67522462) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene.

Molecular Properties

Compound Name8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene
PubChem CID67522462
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene
SMILESCc1ccc2c(c1)COc1c-2ccc2cc(C(C)C)ccc12
InChIInChI=1S/C21H20O/c1-13(2)15-5-8-19-16(11-15)6-9-20-18-7-4-14(3)10-17(18)12-22-21(19)20/h4-11,13H,12H2,1-3H3
InChIKeyCJMVRGVTLXOCLC-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene?
The IUPAC name of 8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene (CID 67522462) is 8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene.
What is the SMILES notation for 8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene?
The canonical SMILES for 8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene is Cc1ccc2c(c1)COc1c-2ccc2cc(C(C)C)ccc12.
What is the InChIKey of 8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene?
The InChIKey is CJMVRGVTLXOCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-13(2)15-5-8-19-16(11-15)6-9-20-18-7-4-14(3)10-17(18)12-22-21(19)20/h4-11,13H,12H2,1-3H3.
What are the key properties of 8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene?
8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene has a molecular weight of 288.39 g/mol, XLogP of 5.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-propan-2-yl-6H-naphtho[1,2-c]isochromene is sourced from PubChem (CID 67522462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).