(1-bromonaphthalen-2-yl) 3-ethoxybenzoate

C19H15BrO3 — CID 23012410

IUPAC(1-bromonaphthalen-2-yl) 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)Oc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C19H15BrO3/c1-2-22-15-8-5-7-14(12-15)19(21)23-17-11-10-13-6-3-4-9-16(13)18(17)20/h3-12H,2H2,1H3
InChIKeyKGADELRCTJARHH-UHFFFAOYSA-N
MW371.23 g/mol
LogP5.22
Rot. Bonds4

About (1-bromonaphthalen-2-yl) 3-ethoxybenzoate

(1-bromonaphthalen-2-yl) 3-ethoxybenzoate (PubChem CID 23012410) has the molecular formula C19H15BrO3 and a molecular weight of 371.23 g/mol. Its IUPAC name is (1-bromonaphthalen-2-yl) 3-ethoxybenzoate.

Molecular Properties

Compound Name(1-bromonaphthalen-2-yl) 3-ethoxybenzoate
PubChem CID23012410
Molecular FormulaC19H15BrO3
Molecular Weight371.23 g/mol
Exact Mass370.02
IUPAC Name(1-bromonaphthalen-2-yl) 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)Oc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C19H15BrO3/c1-2-22-15-8-5-7-14(12-15)19(21)23-17-11-10-13-6-3-4-9-16(13)18(17)20/h3-12H,2H2,1H3
InChIKeyKGADELRCTJARHH-UHFFFAOYSA-N
XLogP5.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.23
LogP ≤ 55.22
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

ethyl 5-bromo-2-(3-ethoxybenzoyl)oxybenzoate
CID 17343287
(1-bromonaphthalen-2-yl) 3-iodo-4-methoxybenzoate
CID 23010939
(1-bromonaphthalen-2-yl) 3-iodo-4-methylbenzoate
CID 23011125
(1-bromonaphthalen-2-yl) 3-bromo-4-propan-2-yloxybenzoate
CID 23012982
5-chloro-2-(3-ethoxybenzoyl)oxybenzoic acid
CID 54855059
3-(1-bromonaphthalen-2-yl)oxybenzoic acid
CID 63944048
3-[2-(1-bromonaphthalen-2-yl)oxyacetyl]oxybenzoic acid
CID 54855036
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
(1-bromonaphthalen-2-yl) 2,3-diphenylquinoxaline-6-carboxylate
CID 5262002
(2-ethoxyphenyl) 3-methoxybenzoate
CID 19184767
methyl 3-ethoxybenzoate
CID 3267781
(4-benzamidophenyl) 3-ethoxybenzoate
CID 55883088

Frequently Asked Questions

What is the IUPAC name of (1-bromonaphthalen-2-yl) 3-ethoxybenzoate?
The IUPAC name of (1-bromonaphthalen-2-yl) 3-ethoxybenzoate (CID 23012410) is (1-bromonaphthalen-2-yl) 3-ethoxybenzoate.
What is the SMILES notation for (1-bromonaphthalen-2-yl) 3-ethoxybenzoate?
The canonical SMILES for (1-bromonaphthalen-2-yl) 3-ethoxybenzoate is CCOc1cccc(C(=O)Oc2ccc3ccccc3c2Br)c1.
What is the InChIKey of (1-bromonaphthalen-2-yl) 3-ethoxybenzoate?
The InChIKey is KGADELRCTJARHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO3/c1-2-22-15-8-5-7-14(12-15)19(21)23-17-11-10-13-6-3-4-9-16(13)18(17)20/h3-12H,2H2,1H3.
What are the key properties of (1-bromonaphthalen-2-yl) 3-ethoxybenzoate?
(1-bromonaphthalen-2-yl) 3-ethoxybenzoate has a molecular weight of 371.23 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromonaphthalen-2-yl) 3-ethoxybenzoate is sourced from PubChem (CID 23012410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).