2-(3-bromo-4-hydroxyphenyl)ethyl benzoate

C15H13BrO3 — CID 11278672

IUPAC2-(3-bromo-4-hydroxyphenyl)ethyl benzoate
SMILESO=C(OCCc1ccc(O)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H13BrO3/c16-13-10-11(6-7-14(13)17)8-9-19-15(18)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChIKeyLACVWTVFAAACSR-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.55
Rot. Bonds4

About 2-(3-bromo-4-hydroxyphenyl)ethyl benzoate

2-(3-bromo-4-hydroxyphenyl)ethyl benzoate (PubChem CID 11278672) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-(3-bromo-4-hydroxyphenyl)ethyl benzoate.

Molecular Properties

Compound Name2-(3-bromo-4-hydroxyphenyl)ethyl benzoate
PubChem CID11278672
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name2-(3-bromo-4-hydroxyphenyl)ethyl benzoate
SMILESO=C(OCCc1ccc(O)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H13BrO3/c16-13-10-11(6-7-14(13)17)8-9-19-15(18)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChIKeyLACVWTVFAAACSR-UHFFFAOYSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydroxyphenyl)ethyl 4-(bromomethyl)benzoate
CID 121459680
2-phenylethyl 4-hydroxybenzoate
CID 11977778
2-benzoyloxyethyl benzoate;ethene
CID 67969171
5-(3-bromo-4-hydroxybenzoyl)oxypentyl 3-bromo-4-hydroxybenzoate
CID 139915009
2-[4-(benzamidomethyl)phenyl]ethyl benzoate
CID 67530892
2-[3-chloro-4-[(1S)-1-hydroxyethyl]phenyl]ethyl benzoate
CID 141145951
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-phenylethyl 4-(methylsulfonylmethyl)benzoate
CID 78776770
2-benzoyloxyethyl 3,5-diaminobenzoate
CID 21249778
2-(3,4-dihydroxyphenyl)ethyl hydrogen carbonate
CID 163076711
2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate
CID 142376943

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-hydroxyphenyl)ethyl benzoate?
The IUPAC name of 2-(3-bromo-4-hydroxyphenyl)ethyl benzoate (CID 11278672) is 2-(3-bromo-4-hydroxyphenyl)ethyl benzoate.
What is the SMILES notation for 2-(3-bromo-4-hydroxyphenyl)ethyl benzoate?
The canonical SMILES for 2-(3-bromo-4-hydroxyphenyl)ethyl benzoate is O=C(OCCc1ccc(O)c(Br)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromo-4-hydroxyphenyl)ethyl benzoate?
The InChIKey is LACVWTVFAAACSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c16-13-10-11(6-7-14(13)17)8-9-19-15(18)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2.
What are the key properties of 2-(3-bromo-4-hydroxyphenyl)ethyl benzoate?
2-(3-bromo-4-hydroxyphenyl)ethyl benzoate has a molecular weight of 321.17 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-hydroxyphenyl)ethyl benzoate is sourced from PubChem (CID 11278672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).