(1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate

C19H15BrO4 — CID 7918561

IUPAC(1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C19H15BrO4/c1-22-15-8-4-5-9-16(15)23-12-18(21)24-17-11-10-13-6-2-3-7-14(13)19(17)20/h2-11H,12H2,1H3
InChIKeyKRDZORRBYCEGSV-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.60
Rot. Bonds5

About (1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate

(1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate (PubChem CID 7918561) has the molecular formula C19H15BrO4 and a molecular weight of 387.23 g/mol. Its IUPAC name is (1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name(1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate
PubChem CID7918561
Molecular FormulaC19H15BrO4
Molecular Weight387.23 g/mol
Exact Mass386.02
IUPAC Name(1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C19H15BrO4/c1-22-15-8-4-5-9-16(15)23-12-18(21)24-17-11-10-13-6-2-3-7-14(13)19(17)20/h2-11H,12H2,1H3
InChIKeyKRDZORRBYCEGSV-UHFFFAOYSA-N
XLogP4.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]oxybenzoic acid
CID 54855272
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 58522023
(4-nitrophenyl) 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4213554
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
(4-methoxyphenyl) 2-(1,6-dibromonaphthalen-2-yl)oxyacetate
CID 3454697
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28579033
[2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 40627603
(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
CID 78777315
naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820

Frequently Asked Questions

What is the IUPAC name of (1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate?
The IUPAC name of (1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate (CID 7918561) is (1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for (1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for (1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)Oc1ccc2ccccc2c1Br.
What is the InChIKey of (1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate?
The InChIKey is KRDZORRBYCEGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO4/c1-22-15-8-4-5-9-16(15)23-12-18(21)24-17-11-10-13-6-2-3-7-14(13)19(17)20/h2-11H,12H2,1H3.
What are the key properties of (1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate?
(1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate has a molecular weight of 387.23 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 7918561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).