5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran

C19H19BrO — CID 63439179

IUPAC5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESBrC(c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H19BrO/c20-19(17-7-8-18-15(12-17)9-10-21-18)16-6-5-13-3-1-2-4-14(13)11-16/h5-8,11-12,19H,1-4,9-10H2
InChIKeyBYZBBEDOKWFREU-UHFFFAOYSA-N
MW343.26 g/mol
LogP4.98
Rot. Bonds2

About 5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran

5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 63439179) has the molecular formula C19H19BrO and a molecular weight of 343.26 g/mol. Its IUPAC name is 5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID63439179
Molecular FormulaC19H19BrO
Molecular Weight343.26 g/mol
Exact Mass342.06
IUPAC Name5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESBrC(c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H19BrO/c20-19(17-7-8-18-15(12-17)9-10-21-18)16-6-5-13-3-1-2-4-14(13)11-16/h5-8,11-12,19H,1-4,9-10H2
InChIKeyBYZBBEDOKWFREU-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 54.98
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

5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
6-[bromo-(3-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444280
6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61098210
5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61097885
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
5-[bromo-(2-bromo-5-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81112440
5-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81284360
5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79084281
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
5-[bromo-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81477363
5-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 65278298

Frequently Asked Questions

What is the IUPAC name of 5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran (CID 63439179) is 5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran is BrC(c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCO2.
What is the InChIKey of 5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is BYZBBEDOKWFREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO/c20-19(17-7-8-18-15(12-17)9-10-21-18)16-6-5-13-3-1-2-4-14(13)11-16/h5-8,11-12,19H,1-4,9-10H2.
What are the key properties of 5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 343.26 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 63439179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).