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

C15H18O2 — CID 79428633

IUPAC2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1CC1CCCCO1
InChIInChI=1S/C15H18O2/c16-15-12(10-13-6-3-4-8-17-13)9-11-5-1-2-7-14(11)15/h1-2,5,7,12-13H,3-4,6,8-10H2
InChIKeyDKVLIBRAFASAPT-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.00
Rot. Bonds2

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

2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one (PubChem CID 79428633) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one
PubChem CID79428633
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1CC1CCCCO1
InChIInChI=1S/C15H18O2/c16-15-12(10-13-6-3-4-8-17-13)9-11-5-1-2-7-14(11)15/h1-2,5,7,12-13H,3-4,6,8-10H2
InChIKeyDKVLIBRAFASAPT-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one
CID 55066215
2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 113339957
2-(oxan-2-ylmethyl)oxane
CID 67860654
(2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole
CID 124721230
2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79422393
2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429212
2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544000
2-(5-aminopentyl)-2,3-dihydroinden-1-one
CID 23389014
2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544001
(2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one
CID 129365333
2-[2-(trimethylsilylmethyl)prop-2-enyl]-2,3-dihydroinden-1-one
CID 15316015
2-benzyloxepane
CID 14272917

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one (CID 79428633) is 2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1CC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one?
The InChIKey is DKVLIBRAFASAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c16-15-12(10-13-6-3-4-8-17-13)9-11-5-1-2-7-14(11)15/h1-2,5,7,12-13H,3-4,6,8-10H2.
What are the key properties of 2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one?
2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 79428633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).