methyl 3-bromo-5-hydroxy-4-phenylbenzoate

C14H11BrO3 — CID 134986293

IUPACmethyl 3-bromo-5-hydroxy-4-phenylbenzoate
SMILESCOC(=O)c1cc(O)c(-c2ccccc2)c(Br)c1
InChIInChI=1S/C14H11BrO3/c1-18-14(17)10-7-11(15)13(12(16)8-10)9-5-3-2-4-6-9/h2-8,16H,1H3
InChIKeyMSNLWAUXJKZVEC-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.61
Rot. Bonds2

About methyl 3-bromo-5-hydroxy-4-phenylbenzoate

methyl 3-bromo-5-hydroxy-4-phenylbenzoate (PubChem CID 134986293) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is methyl 3-bromo-5-hydroxy-4-phenylbenzoate.

Molecular Properties

Compound Namemethyl 3-bromo-5-hydroxy-4-phenylbenzoate
PubChem CID134986293
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Namemethyl 3-bromo-5-hydroxy-4-phenylbenzoate
SMILESCOC(=O)c1cc(O)c(-c2ccccc2)c(Br)c1
InChIInChI=1S/C14H11BrO3/c1-18-14(17)10-7-11(15)13(12(16)8-10)9-5-3-2-4-6-9/h2-8,16H,1H3
InChIKeyMSNLWAUXJKZVEC-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-bromo-3,5-dihydroxy-6-phenylbenzoate
CID 23147058
ethane;methyl 3-bromo-4-hydroxybenzoate
CID 143655068
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 4-hydroxy-9,10-dioxoanthracene-2-carboxylate
CID 10902055
methyl 3-bromo-5-(2-hydroxyphenyl)benzoate
CID 175028755
dimethyl 2,6-dibromobenzene-1,4-dicarboxylate
CID 23245049
methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate
CID 108767103
bromobenzene;methyl benzoate
CID 175243928
methyl 2-phenylazulene-6-carboxylate
CID 23257786
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 3-methoxy-5-phenylbenzoate
CID 71086676
methyl 3-bromo-4-(phenoxymethyl)benzoate
CID 957497

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-5-hydroxy-4-phenylbenzoate?
The IUPAC name of methyl 3-bromo-5-hydroxy-4-phenylbenzoate (CID 134986293) is methyl 3-bromo-5-hydroxy-4-phenylbenzoate.
What is the SMILES notation for methyl 3-bromo-5-hydroxy-4-phenylbenzoate?
The canonical SMILES for methyl 3-bromo-5-hydroxy-4-phenylbenzoate is COC(=O)c1cc(O)c(-c2ccccc2)c(Br)c1.
What is the InChIKey of methyl 3-bromo-5-hydroxy-4-phenylbenzoate?
The InChIKey is MSNLWAUXJKZVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c1-18-14(17)10-7-11(15)13(12(16)8-10)9-5-3-2-4-6-9/h2-8,16H,1H3.
What are the key properties of methyl 3-bromo-5-hydroxy-4-phenylbenzoate?
methyl 3-bromo-5-hydroxy-4-phenylbenzoate has a molecular weight of 307.14 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-5-hydroxy-4-phenylbenzoate is sourced from PubChem (CID 134986293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).