2-bromo-5-phenylmethoxybenzoic acid

C14H11BrO3 — CID 15891190

IUPAC2-bromo-5-phenylmethoxybenzoic acid
SMILESO=C(O)c1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C14H11BrO3/c15-13-7-6-11(8-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyCCHCDWROTMQCEH-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.73
Rot. Bonds4

About 2-bromo-5-phenylmethoxybenzoic acid

2-bromo-5-phenylmethoxybenzoic acid (PubChem CID 15891190) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is 2-bromo-5-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name2-bromo-5-phenylmethoxybenzoic acid
PubChem CID15891190
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name2-bromo-5-phenylmethoxybenzoic acid
SMILESO=C(O)c1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C14H11BrO3/c15-13-7-6-11(8-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyCCHCDWROTMQCEH-UHFFFAOYSA-N
XLogP3.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one
CID 83988722
2-bromo-5-(phenoxymethyl)benzoic acid
CID 117221773
ethane;4-phenylmethoxyphthalic acid
CID 90802135
2-bromo-N,N-diethyl-5-phenylmethoxybenzamide
CID 156880220
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
2-carboxy-5-phenylmethoxyphenolate
CID 86309199
2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
CID 82824687
4-[(4-bromo-3-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698455
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
2-bromo-4-(phenoxymethyl)benzoic acid
CID 117220284
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-phenylmethoxybenzoic acid?
The IUPAC name of 2-bromo-5-phenylmethoxybenzoic acid (CID 15891190) is 2-bromo-5-phenylmethoxybenzoic acid.
What is the SMILES notation for 2-bromo-5-phenylmethoxybenzoic acid?
The canonical SMILES for 2-bromo-5-phenylmethoxybenzoic acid is O=C(O)c1cc(OCc2ccccc2)ccc1Br.
What is the InChIKey of 2-bromo-5-phenylmethoxybenzoic acid?
The InChIKey is CCHCDWROTMQCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c15-13-7-6-11(8-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17).
What are the key properties of 2-bromo-5-phenylmethoxybenzoic acid?
2-bromo-5-phenylmethoxybenzoic acid has a molecular weight of 307.14 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-phenylmethoxybenzoic acid is sourced from PubChem (CID 15891190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).