1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene

C17H11BrCl2 — CID 63444748

IUPAC1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene
SMILESClc1ccc(C(Br)c2cccc3ccccc23)cc1Cl
InChIInChI=1S/C17H11BrCl2/c18-17(12-8-9-15(19)16(20)10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17H
InChIKeyRRJUODRSMCPHLR-UHFFFAOYSA-N
MW366.09 g/mol
LogP6.63
Rot. Bonds2

About 1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene

1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene (PubChem CID 63444748) has the molecular formula C17H11BrCl2 and a molecular weight of 366.09 g/mol. Its IUPAC name is 1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene
PubChem CID63444748
Molecular FormulaC17H11BrCl2
Molecular Weight366.09 g/mol
Exact Mass363.94
IUPAC Name1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene
SMILESClc1ccc(C(Br)c2cccc3ccccc23)cc1Cl
InChIInChI=1S/C17H11BrCl2/c18-17(12-8-9-15(19)16(20)10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17H
InChIKeyRRJUODRSMCPHLR-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.09
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene
CID 63435816
(3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine
CID 44569481
1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene
CID 82772676
1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
CID 63527360
3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene
CID 63444904
2-[bromo-(3,4-dichlorophenyl)methyl]-1-benzothiophene
CID 63445065
1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991910
1-[bromo-(3,4-dichlorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477662
1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene
CID 79597605
1-bromo-4-[bromo-(3-chloro-4-methylphenyl)methyl]naphthalene
CID 79590704
1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene
CID 79593014
1-[(3,4-dichlorophenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid
CID 3912744

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene?
The IUPAC name of 1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene (CID 63444748) is 1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene.
What is the SMILES notation for 1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene?
The canonical SMILES for 1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene is Clc1ccc(C(Br)c2cccc3ccccc23)cc1Cl.
What is the InChIKey of 1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene?
The InChIKey is RRJUODRSMCPHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2/c18-17(12-8-9-15(19)16(20)10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17H.
What are the key properties of 1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene?
1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene has a molecular weight of 366.09 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene is sourced from PubChem (CID 63444748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).