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

C17H17BrO — CID 134857393

IUPAC2-(2-bromonaphthalen-1-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran
SMILESCC1=C(C)CC(c2c(Br)ccc3ccccc23)OC1
InChIInChI=1S/C17H17BrO/c1-11-9-16(19-10-12(11)2)17-14-6-4-3-5-13(14)7-8-15(17)18/h3-8,16H,9-10H2,1-2H3
InChIKeyTWRFVMKBTCIORG-UHFFFAOYSA-N
MW317.23 g/mol
LogP5.40
Rot. Bonds1

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

2-(2-bromonaphthalen-1-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran (PubChem CID 134857393) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-(2-bromonaphthalen-1-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(2-bromonaphthalen-1-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran
PubChem CID134857393
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name2-(2-bromonaphthalen-1-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran
SMILESCC1=C(C)CC(c2c(Br)ccc3ccccc23)OC1
InChIInChI=1S/C17H17BrO/c1-11-9-16(19-10-12(11)2)17-14-6-4-3-5-13(14)7-8-15(17)18/h3-8,16H,9-10H2,1-2H3
InChIKeyTWRFVMKBTCIORG-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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Related Compounds

5-bromo-3-methyl-3,4-dihydro-1H-2-benzopyran
CID 89852966
1-Bromo-2-(methoxymethyl)naphthalene
CID 12385765
7-bromo-3-methyl-3,4-dihydro-1H-2-benzopyran
CID 177799177
(1S,4R)-1,4-bis(4-bromonaphthalen-1-yl)-1,4-dimethoxynaphthalene
CID 89989807
(1S)-6-bromo-1-ethenyl-3,4-dihydro-1H-isochromene
CID 134967581
8-Bromo-5,6-difluoro-1-phenylmethoxy-1,2,3,4-tetrahydronaphthalene
CID 57802016
1-(3-Bromo-1-fluoronaphthalen-2-yl)-2-(4-propylcyclohexyl)prop-2-en-1-ol
CID 58995687
6-Bromo-8-fluoro-1-phenylmethoxy-1,2,3,4-tetrahydronaphthalene
CID 58995747
(3-Bromonaphthalen-2-yl)methoxymethyl-trifluoroboranuide
CID 87493904
4-bromo-1-[(2R)-1,1-difluoro-3-phenylmethoxypropan-2-yl]-2-methylbenzene
CID 118092898
4-Bromo-1-(1,1-difluoro-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 118092900
(R)-1-(1-(Benzyloxy)-3-fluoropropan-2-yl)-4-bromo-2-methylbenzene
CID 118092969

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromonaphthalen-1-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-(2-bromonaphthalen-1-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran (CID 134857393) is 2-(2-bromonaphthalen-1-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-(2-bromonaphthalen-1-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-(2-bromonaphthalen-1-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran is CC1=C(C)CC(c2c(Br)ccc3ccccc23)OC1.
What is the InChIKey of 2-(2-bromonaphthalen-1-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
The InChIKey is TWRFVMKBTCIORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-11-9-16(19-10-12(11)2)17-14-6-4-3-5-13(14)7-8-15(17)18/h3-8,16H,9-10H2,1-2H3.
What are the key properties of 2-(2-bromonaphthalen-1-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
2-(2-bromonaphthalen-1-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-(2-bromonaphthalen-1-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134857393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).