1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one

C18H18O2 — CID 102335454

IUPAC1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one
SMILESCC(=O)C[C@@H]1C=CC[C@H](c2cccc3ccccc23)O1
InChIInChI=1S/C18H18O2/c1-13(19)12-15-8-5-11-18(20-15)17-10-4-7-14-6-2-3-9-16(14)17/h2-10,15,18H,11-12H2,1H3/t15-,18+/m0/s1
InChIKeyURQFGJIYDUHRNJ-MAUKXSAKSA-N
MW266.34 g/mol
LogP4.21
Rot. Bonds3

About 1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one

1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one (PubChem CID 102335454) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one
PubChem CID102335454
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one
SMILESCC(=O)C[C@@H]1C=CC[C@H](c2cccc3ccccc23)O1
InChIInChI=1S/C18H18O2/c1-13(19)12-15-8-5-11-18(20-15)17-10-4-7-14-6-2-3-9-16(14)17/h2-10,15,18H,11-12H2,1H3/t15-,18+/m0/s1
InChIKeyURQFGJIYDUHRNJ-MAUKXSAKSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one?
The IUPAC name of 1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one (CID 102335454) is 1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one.
What is the SMILES notation for 1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one?
The canonical SMILES for 1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one is CC(=O)C[C@@H]1C=CC[C@H](c2cccc3ccccc23)O1.
What is the InChIKey of 1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one?
The InChIKey is URQFGJIYDUHRNJ-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H18O2/c1-13(19)12-15-8-5-11-18(20-15)17-10-4-7-14-6-2-3-9-16(14)17/h2-10,15,18H,11-12H2,1H3/t15-,18+/m0/s1.
What are the key properties of 1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one?
1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one has a molecular weight of 266.34 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one is sourced from PubChem (CID 102335454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).