(6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate

C24H17BrO3 — CID 4013099

IUPAC(6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C24H17BrO3/c25-21-10-6-20-15-23(13-9-19(20)14-21)28-24(26)16-27-22-11-7-18(8-12-22)17-4-2-1-3-5-17/h1-15H,16H2
InChIKeyADLOOUCBCVEZKW-UHFFFAOYSA-N
MW433.30 g/mol
LogP6.25
Rot. Bonds5

About (6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate

(6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate (PubChem CID 4013099) has the molecular formula C24H17BrO3 and a molecular weight of 433.30 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate
PubChem CID4013099
Molecular FormulaC24H17BrO3
Molecular Weight433.30 g/mol
Exact Mass432.04
IUPAC Name(6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C24H17BrO3/c25-21-10-6-20-15-23(13-9-19(20)14-21)28-24(26)16-27-22-11-7-18(8-12-22)17-4-2-1-3-5-17/h1-15H,16H2
InChIKeyADLOOUCBCVEZKW-UHFFFAOYSA-N
XLogP6.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.30
LogP ≤ 56.25
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

(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
naphthalen-2-yl 2-(4-benzoylphenoxy)acetate
CID 7926828
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831
(7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate
CID 7581544
1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
CID 4309178
(2,4-dibromophenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012557
(2,3,4,5,6-pentafluorophenyl) 2-(4-phenylphenoxy)acetate
CID 87804804
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
(4-phenylphenyl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 23010692
(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
CID 19179210
methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate
CID 23011279
(4-bromo-2-chlorophenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012558

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate?
The IUPAC name of (6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate (CID 4013099) is (6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate.
What is the SMILES notation for (6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate?
The canonical SMILES for (6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate is O=C(COc1ccc(-c2ccccc2)cc1)Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of (6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate?
The InChIKey is ADLOOUCBCVEZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrO3/c25-21-10-6-20-15-23(13-9-19(20)14-21)28-24(26)16-27-22-11-7-18(8-12-22)17-4-2-1-3-5-17/h1-15H,16H2.
What are the key properties of (6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate?
(6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate has a molecular weight of 433.30 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate is sourced from PubChem (CID 4013099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).