2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran

C17H17BrO — CID 134832709

IUPAC2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran
SMILESCC1=C(C)CC(c2ccc3ccccc3c2Br)OC1
InChIInChI=1S/C17H17BrO/c1-11-9-16(19-10-12(11)2)15-8-7-13-5-3-4-6-14(13)17(15)18/h3-8,16H,9-10H2,1-2H3
InChIKeyYHQKDPDXKIVDRV-UHFFFAOYSA-N
MW317.23 g/mol
LogP5.40
Rot. Bonds1

About 2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran

2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran (PubChem CID 134832709) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran
PubChem CID134832709
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran
SMILESCC1=C(C)CC(c2ccc3ccccc3c2Br)OC1
InChIInChI=1S/C17H17BrO/c1-11-9-16(19-10-12(11)2)15-8-7-13-5-3-4-6-14(13)17(15)18/h3-8,16H,9-10H2,1-2H3
InChIKeyYHQKDPDXKIVDRV-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.23
LogP ≤ 55.40
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)-4,5-dimethyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran (CID 134832709) is 2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran is CC1=C(C)CC(c2ccc3ccccc3c2Br)OC1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
The InChIKey is YHQKDPDXKIVDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-11-9-16(19-10-12(11)2)15-8-7-13-5-3-4-6-14(13)17(15)18/h3-8,16H,9-10H2,1-2H3.
What are the key properties of 2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
2-(1-bromonaphthalen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran has a molecular weight of 317.23 g/mol, XLogP of 5.40, 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)-4,5-dimethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134832709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).