2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene

C20H17Br — CID 63440446

IUPAC2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene
SMILESBrC(c1ccc2c(c1)CCC2)c1ccc2ccccc2c1
InChIInChI=1S/C20H17Br/c21-20(19-11-9-15-6-3-7-17(15)13-19)18-10-8-14-4-1-2-5-16(14)12-18/h1-2,4-5,8-13,20H,3,6-7H2
InChIKeyAQMVCHCMZLSLFQ-UHFFFAOYSA-N
MW337.26 g/mol
LogP5.81
Rot. Bonds2

About 2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene

2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene (PubChem CID 63440446) has the molecular formula C20H17Br and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene.

Molecular Properties

Compound Name2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene
PubChem CID63440446
Molecular FormulaC20H17Br
Molecular Weight337.26 g/mol
Exact Mass336.05
IUPAC Name2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene
SMILESBrC(c1ccc2c(c1)CCC2)c1ccc2ccccc2c1
InChIInChI=1S/C20H17Br/c21-20(19-11-9-15-6-3-7-17(15)13-19)18-10-8-14-4-1-2-5-16(14)12-18/h1-2,4-5,8-13,20H,3,6-7H2
InChIKeyAQMVCHCMZLSLFQ-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.26
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63437562
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440661
2-[bromo-(4-methylphenyl)methyl]naphthalene
CID 63437307
2-[bromo(fluoro)methyl]naphthalene
CID 118536685
5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63440400
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009
6-[bromo-(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439446
5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene
CID 63440354
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
CID 133188833

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene?
The IUPAC name of 2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene (CID 63440446) is 2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene.
What is the SMILES notation for 2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene?
The canonical SMILES for 2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene is BrC(c1ccc2c(c1)CCC2)c1ccc2ccccc2c1.
What is the InChIKey of 2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene?
The InChIKey is AQMVCHCMZLSLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Br/c21-20(19-11-9-15-6-3-7-17(15)13-19)18-10-8-14-4-1-2-5-16(14)12-18/h1-2,4-5,8-13,20H,3,6-7H2.
What are the key properties of 2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene?
2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene has a molecular weight of 337.26 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene is sourced from PubChem (CID 63440446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).