(7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate

C19H15BrO4 — CID 7581544

IUPAC(7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate
SMILESCOc1ccc2ccc(OC(=O)COc3cccc(Br)c3)cc2c1
InChIInChI=1S/C19H15BrO4/c1-22-16-7-5-13-6-8-18(10-14(13)9-16)24-19(21)12-23-17-4-2-3-15(20)11-17/h2-11H,12H2,1H3
InChIKeySBJLOAYDONTHQC-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.60
Rot. Bonds5

About (7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate

(7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate (PubChem CID 7581544) has the molecular formula C19H15BrO4 and a molecular weight of 387.23 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate
PubChem CID7581544
Molecular FormulaC19H15BrO4
Molecular Weight387.23 g/mol
Exact Mass386.02
IUPAC Name(7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate
SMILESCOc1ccc2ccc(OC(=O)COc3cccc(Br)c3)cc2c1
InChIInChI=1S/C19H15BrO4/c1-22-16-7-5-13-6-8-18(10-14(13)9-16)24-19(21)12-23-17-4-2-3-15(20)11-17/h2-11H,12H2,1H3
InChIKeySBJLOAYDONTHQC-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-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970559
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694899
(6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate
CID 4013099
naphthalen-2-yl 2-(3-acetamidophenoxy)acetate
CID 18870014
(3-carbamoyl-2-oxochromen-7-yl) 2-(3-bromophenoxy)acetate
CID 19187093
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831
(7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 51112368
[3-(ethylcarbamoyl)-2-oxochromen-7-yl] 2-(3-bromophenoxy)acetate
CID 19187082
methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
CID 7956911

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate?
The IUPAC name of (7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate (CID 7581544) is (7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate is COc1ccc2ccc(OC(=O)COc3cccc(Br)c3)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate?
The InChIKey is SBJLOAYDONTHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO4/c1-22-16-7-5-13-6-8-18(10-14(13)9-16)24-19(21)12-23-17-4-2-3-15(20)11-17/h2-11H,12H2,1H3.
What are the key properties of (7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate?
(7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)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 (7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate is sourced from PubChem (CID 7581544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).