2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran

C16H17BrO — CID 63439439

IUPAC2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran
SMILESCc1ccoc1C(Br)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H17BrO/c1-11-8-9-18-16(11)15(17)14-7-6-12-4-2-3-5-13(12)10-14/h6-10,15H,2-5H2,1H3
InChIKeyMWPPKEQWAFDICD-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.95
Rot. Bonds2

About 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran

2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran (PubChem CID 63439439) has the molecular formula C16H17BrO and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran.

Molecular Properties

Compound Name2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran
PubChem CID63439439
Molecular FormulaC16H17BrO
Molecular Weight305.22 g/mol
Exact Mass304.05
IUPAC Name2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran
SMILESCc1ccoc1C(Br)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H17BrO/c1-11-8-9-18-16(11)15(17)14-7-6-12-4-2-3-5-13(12)10-14/h6-10,15H,2-5H2,1H3
InChIKeyMWPPKEQWAFDICD-UHFFFAOYSA-N
XLogP4.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran
CID 61086619
5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804281
2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran
CID 63444447
6-[bromo-(5-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63438997
5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440661
5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63439179
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63439172
6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107957814
5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63437562

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran?
The IUPAC name of 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran (CID 63439439) is 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran.
What is the SMILES notation for 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran?
The canonical SMILES for 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran is Cc1ccoc1C(Br)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran?
The InChIKey is MWPPKEQWAFDICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO/c1-11-8-9-18-16(11)15(17)14-7-6-12-4-2-3-5-13(12)10-14/h6-10,15H,2-5H2,1H3.
What are the key properties of 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran?
2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran has a molecular weight of 305.22 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran is sourced from PubChem (CID 63439439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).