ethyl 3-bromo-4-phenylmethoxybenzoate

C16H15BrO3 — CID 54793242

IUPACethyl 3-bromo-4-phenylmethoxybenzoate
SMILESCCOC(=O)c1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C16H15BrO3/c1-2-19-16(18)13-8-9-15(14(17)10-13)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyJOWXCZQXYIVPRA-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.20
Rot. Bonds5

About ethyl 3-bromo-4-phenylmethoxybenzoate

ethyl 3-bromo-4-phenylmethoxybenzoate (PubChem CID 54793242) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is ethyl 3-bromo-4-phenylmethoxybenzoate.

Molecular Properties

Compound Nameethyl 3-bromo-4-phenylmethoxybenzoate
PubChem CID54793242
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Nameethyl 3-bromo-4-phenylmethoxybenzoate
SMILESCCOC(=O)c1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C16H15BrO3/c1-2-19-16(18)13-8-9-15(14(17)10-13)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyJOWXCZQXYIVPRA-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
CID 177405954
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
ethyl 3,4-dihydroxybenzoate;ethyl 3-hydroxy-4-phenylmethoxybenzoate;methane
CID 158916697
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
ethyl 3-bromo-4-(2-methoxyethoxy)benzoate
CID 11839084
benzyl 3-bromo-4-(3-methylbutoxy)benzoate
CID 54793286
(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 142526842
3-bromo-4-[(4-methylphenyl)methoxy]benzoic acid
CID 8706873
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-4-phenylmethoxybenzoate?
The IUPAC name of ethyl 3-bromo-4-phenylmethoxybenzoate (CID 54793242) is ethyl 3-bromo-4-phenylmethoxybenzoate.
What is the SMILES notation for ethyl 3-bromo-4-phenylmethoxybenzoate?
The canonical SMILES for ethyl 3-bromo-4-phenylmethoxybenzoate is CCOC(=O)c1ccc(OCc2ccccc2)c(Br)c1.
What is the InChIKey of ethyl 3-bromo-4-phenylmethoxybenzoate?
The InChIKey is JOWXCZQXYIVPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-2-19-16(18)13-8-9-15(14(17)10-13)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 3-bromo-4-phenylmethoxybenzoate?
ethyl 3-bromo-4-phenylmethoxybenzoate has a molecular weight of 335.20 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-4-phenylmethoxybenzoate is sourced from PubChem (CID 54793242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).