naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate

C23H17BrO3 — CID 4864831

IUPACnaphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate
SMILESCOc1ccc2cc(Br)ccc2c1CC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C23H17BrO3/c1-26-22-11-7-17-12-18(24)8-10-20(17)21(22)14-23(25)27-19-9-6-15-4-2-3-5-16(15)13-19/h2-13H,14H2,1H3
InChIKeyHAAZTMKKQHFESS-UHFFFAOYSA-N
MW421.29 g/mol
LogP5.91
Rot. Bonds4

About naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate

naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate (PubChem CID 4864831) has the molecular formula C23H17BrO3 and a molecular weight of 421.29 g/mol. Its IUPAC name is naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate.

Molecular Properties

Compound Namenaphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate
PubChem CID4864831
Molecular FormulaC23H17BrO3
Molecular Weight421.29 g/mol
Exact Mass420.04
IUPAC Namenaphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate
SMILESCOc1ccc2cc(Br)ccc2c1CC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C23H17BrO3/c1-26-22-11-7-17-12-18(24)8-10-20(17)21(22)14-23(25)27-19-9-6-15-4-2-3-5-16(15)13-19/h2-13H,14H2,1H3
InChIKeyHAAZTMKKQHFESS-UHFFFAOYSA-N
XLogP5.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.29
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide
CID 1034200
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 2234260
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
CID 4729799
(4-methoxyphenyl) 2-(1,6-dibromonaphthalen-2-yl)oxyacetate
CID 3454697
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide
CID 4729727
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-chlorophenyl)acetamide
CID 4729726
N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide
CID 3480217
(7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 27846226
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol
CID 70197174
naphthalen-2-yl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 2677389
1-(2-methoxynaphthalen-1-yl)but-3-en-2-one
CID 139940505

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate?
The IUPAC name of naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate (CID 4864831) is naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate.
What is the SMILES notation for naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate?
The canonical SMILES for naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate is COc1ccc2cc(Br)ccc2c1CC(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate?
The InChIKey is HAAZTMKKQHFESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrO3/c1-26-22-11-7-17-12-18(24)8-10-20(17)21(22)14-23(25)27-19-9-6-15-4-2-3-5-16(15)13-19/h2-13H,14H2,1H3.
What are the key properties of naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate?
naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate has a molecular weight of 421.29 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate is sourced from PubChem (CID 4864831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).