4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene

C18H17BrCl2 — CID 66049410

IUPAC4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
SMILESClc1ccc(CC2(CBr)CCCc3ccccc32)cc1Cl
InChIInChI=1S/C18H17BrCl2/c19-12-18(11-13-7-8-16(20)17(21)10-13)9-3-5-14-4-1-2-6-15(14)18/h1-2,4,6-8,10H,3,5,9,11-12H2
InChIKeyWZARKFKVNZNVCO-UHFFFAOYSA-N
MW384.14 g/mol
LogP6.21
Rot. Bonds3

About 4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene

4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene (PubChem CID 66049410) has the molecular formula C18H17BrCl2 and a molecular weight of 384.14 g/mol. Its IUPAC name is 4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
PubChem CID66049410
Molecular FormulaC18H17BrCl2
Molecular Weight384.14 g/mol
Exact Mass381.99
IUPAC Name4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
SMILESClc1ccc(CC2(CBr)CCCc3ccccc32)cc1Cl
InChIInChI=1S/C18H17BrCl2/c19-12-18(11-13-7-8-16(20)17(21)10-13)9-3-5-14-4-1-2-6-15(14)18/h1-2,4,6-8,10H,3,5,9,11-12H2
InChIKeyWZARKFKVNZNVCO-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.14
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene (CID 66049410) is 4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene is Clc1ccc(CC2(CBr)CCCc3ccccc32)cc1Cl.
What is the InChIKey of 4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene?
The InChIKey is WZARKFKVNZNVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrCl2/c19-12-18(11-13-7-8-16(20)17(21)10-13)9-3-5-14-4-1-2-6-15(14)18/h1-2,4,6-8,10H,3,5,9,11-12H2.
What are the key properties of 4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene?
4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene has a molecular weight of 384.14 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 66049410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).