2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran

C15H13BrO — CID 134857293

IUPAC2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran
SMILESBrc1c(C2CC=CCO2)ccc2ccccc12
InChIInChI=1S/C15H13BrO/c16-15-12-6-2-1-5-11(12)8-9-13(15)14-7-3-4-10-17-14/h1-6,8-9,14H,7,10H2
InChIKeyXDYLPFSXJONDLV-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.62
Rot. Bonds1

About 2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran

2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran (PubChem CID 134857293) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran
PubChem CID134857293
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran
SMILESBrc1c(C2CC=CCO2)ccc2ccccc12
InChIInChI=1S/C15H13BrO/c16-15-12-6-2-1-5-11(12)8-9-13(15)14-7-3-4-10-17-14/h1-6,8-9,14H,7,10H2
InChIKeyXDYLPFSXJONDLV-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran (CID 134857293) is 2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran is Brc1c(C2CC=CCO2)ccc2ccccc12.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran?
The InChIKey is XDYLPFSXJONDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c16-15-12-6-2-1-5-11(12)8-9-13(15)14-7-3-4-10-17-14/h1-6,8-9,14H,7,10H2.
What are the key properties of 2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran?
2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran has a molecular weight of 289.17 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134857293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).