bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate

C23H16Br2O2 — CID 175904411

IUPACbromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate
SMILESO=C(Cc1c(Br)cc2ccccc2c1-c1cccc2ccccc12)OCBr
InChIInChI=1S/C23H16Br2O2/c24-14-27-22(26)13-20-21(25)12-16-7-2-4-10-18(16)23(20)19-11-5-8-15-6-1-3-9-17(15)19/h1-12H,13-14H2
InChIKeyHJFWUODXUUIFJG-UHFFFAOYSA-N
MW484.19 g/mol
LogP6.86
Rot. Bonds4

About bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate

bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate (PubChem CID 175904411) has the molecular formula C23H16Br2O2 and a molecular weight of 484.19 g/mol. Its IUPAC name is bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate.

Molecular Properties

Compound Namebromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate
PubChem CID175904411
Molecular FormulaC23H16Br2O2
Molecular Weight484.19 g/mol
Exact Mass481.95
IUPAC Namebromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate
SMILESO=C(Cc1c(Br)cc2ccccc2c1-c1cccc2ccccc12)OCBr
InChIInChI=1S/C23H16Br2O2/c24-14-27-22(26)13-20-21(25)12-16-7-2-4-10-18(16)23(20)19-11-5-8-15-6-1-3-9-17(15)19/h1-12H,13-14H2
InChIKeyHJFWUODXUUIFJG-UHFFFAOYSA-N
XLogP6.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.19
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate 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

2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
6-amino-3-bromo-2-naphthalen-1-ylphenol
CID 67804184
3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 178068775
1,10-dinaphthalen-1-ylanthracene
CID 58645117
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
CID 139645771
10-bromo-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 134182573
2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
CID 46856074
ethyl 3-[3-(3-ethoxy-3-oxopropoxy)-4-naphthalen-1-ylnaphthalen-2-yl]oxypropanoate
CID 175752420
[2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine
CID 68740341
ethane;methyl 5-bromo-2-naphthalen-1-ylbenzoate
CID 144844652
boric acid;1-naphthalen-1-ylnaphthalen-2-amine
CID 174302114

Frequently Asked Questions

What is the IUPAC name of bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate?
The IUPAC name of bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate (CID 175904411) is bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate.
What is the SMILES notation for bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate?
The canonical SMILES for bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate is O=C(Cc1c(Br)cc2ccccc2c1-c1cccc2ccccc12)OCBr.
What is the InChIKey of bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate?
The InChIKey is HJFWUODXUUIFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Br2O2/c24-14-27-22(26)13-20-21(25)12-16-7-2-4-10-18(16)23(20)19-11-5-8-15-6-1-3-9-17(15)19/h1-12H,13-14H2.
What are the key properties of bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate?
bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate has a molecular weight of 484.19 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate is sourced from PubChem (CID 175904411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).