9-methyl-9H-xanthene;propane

C17H20O — CID 143256907

IUPAC9-methyl-9H-xanthene;propane
SMILESCC1c2ccccc2Oc2ccccc21.CCC
InChIInChI=1S/C14H12O.C3H8/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-3-2/h2-10H,1H3;3H2,1-2H3
InChIKeySZDHCDNCWSZANT-UHFFFAOYSA-N
MW240.35 g/mol
LogP5.36
Rot. Bonds

About 9-methyl-9H-xanthene;propane

9-methyl-9H-xanthene;propane (PubChem CID 143256907) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 9-methyl-9H-xanthene;propane.

Molecular Properties

Compound Name9-methyl-9H-xanthene;propane
PubChem CID143256907
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name9-methyl-9H-xanthene;propane
SMILESCC1c2ccccc2Oc2ccccc21.CCC
InChIInChI=1S/C14H12O.C3H8/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-3-2/h2-10H,1H3;3H2,1-2H3
InChIKeySZDHCDNCWSZANT-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.35
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-9H-xanthene;propane?
The IUPAC name of 9-methyl-9H-xanthene;propane (CID 143256907) is 9-methyl-9H-xanthene;propane.
What is the SMILES notation for 9-methyl-9H-xanthene;propane?
The canonical SMILES for 9-methyl-9H-xanthene;propane is CC1c2ccccc2Oc2ccccc21.CCC.
What is the InChIKey of 9-methyl-9H-xanthene;propane?
The InChIKey is SZDHCDNCWSZANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.C3H8/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-3-2/h2-10H,1H3;3H2,1-2H3.
What are the key properties of 9-methyl-9H-xanthene;propane?
9-methyl-9H-xanthene;propane has a molecular weight of 240.35 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9H-xanthene;propane is sourced from PubChem (CID 143256907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).