5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid

C15H13BrO3 — CID 19602303

IUPAC5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid
SMILESCC(c1ccccc1)c1cc(Br)cc(C(=O)O)c1O
InChIInChI=1S/C15H13BrO3/c1-9(10-5-3-2-4-6-10)12-7-11(16)8-13(14(12)17)15(18)19/h2-9,17H,1H3,(H,18,19)
InChIKeyFULNTVDYPISHIZ-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.00
Rot. Bonds3

About 5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid

5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid (PubChem CID 19602303) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid
PubChem CID19602303
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid
SMILESCC(c1ccccc1)c1cc(Br)cc(C(=O)O)c1O
InChIInChI=1S/C15H13BrO3/c1-9(10-5-3-2-4-6-10)12-7-11(16)8-13(14(12)17)15(18)19/h2-9,17H,1H3,(H,18,19)
InChIKeyFULNTVDYPISHIZ-UHFFFAOYSA-N
XLogP4.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid
CID 19033709
2,5-dihydroxy-4-(1-phenylethyl)benzoic acid
CID 21413983
2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid
CID 14454114
3-[bis(4-propan-2-ylphenyl)methyl]-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 139751316
3-(1,3-diphenylbutyl)-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 15085359
3,5-bis[1-(2-benzylphenyl)ethyl]-2-hydroxybenzoic acid
CID 19889320
3-hexan-2-yl-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 150931941
2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid
CID 67582989
2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 11402235
(2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone
CID 139643041
aluminum tris(2-carboxy-4,6-bis(1-phenylethyl)phenolate)
CID 173457169
2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid
CID 19770533

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid?
The IUPAC name of 5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid (CID 19602303) is 5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid.
What is the SMILES notation for 5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid?
The canonical SMILES for 5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid is CC(c1ccccc1)c1cc(Br)cc(C(=O)O)c1O.
What is the InChIKey of 5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid?
The InChIKey is FULNTVDYPISHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-9(10-5-3-2-4-6-10)12-7-11(16)8-13(14(12)17)15(18)19/h2-9,17H,1H3,(H,18,19).
What are the key properties of 5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid?
5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid has a molecular weight of 321.17 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid is sourced from PubChem (CID 19602303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).