2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one

C15H18O2 — CID 55066215

IUPAC2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1CC1CCOCC1
InChIInChI=1S/C15H18O2/c16-15-13(9-11-5-7-17-8-6-11)10-12-3-1-2-4-14(12)15/h1-4,11,13H,5-10H2
InChIKeyCXGYOFYXLAATAU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.86
Rot. Bonds2

About 2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one

2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one (PubChem CID 55066215) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one
PubChem CID55066215
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1CC1CCOCC1
InChIInChI=1S/C15H18O2/c16-15-13(9-11-5-7-17-8-6-11)10-12-3-1-2-4-14(12)15/h1-4,11,13H,5-10H2
InChIKeyCXGYOFYXLAATAU-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one (CID 55066215) is 2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1CC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one?
The InChIKey is CXGYOFYXLAATAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c16-15-13(9-11-5-7-17-8-6-11)10-12-3-1-2-4-14(12)15/h1-4,11,13H,5-10H2.
What are the key properties of 2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one?
2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one has a molecular weight of 230.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 55066215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).