4-[(4-bromophenyl)methoxy]benzoic acid

C14H11BrO3 — CID 8706939

IUPAC4-[(4-bromophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H11BrO3/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyVSTNSBIMTYJAGR-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.73
Rot. Bonds4

About 4-[(4-bromophenyl)methoxy]benzoic acid

4-[(4-bromophenyl)methoxy]benzoic acid (PubChem CID 8706939) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]benzoic acid
PubChem CID8706939
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name4-[(4-bromophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H11BrO3/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyVSTNSBIMTYJAGR-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

4-phenylmethoxybenzoic acid
CID 68896574
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide
CID 105351408
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
4-[(2,4-dibromophenoxy)methyl]benzoic acid
CID 43235934
2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
CID 82824687
benzhydryl 4-[(4-bromophenoxy)methyl]benzoate
CID 126182392
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid
CID 10244950

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]benzoic acid?
The IUPAC name of 4-[(4-bromophenyl)methoxy]benzoic acid (CID 8706939) is 4-[(4-bromophenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]benzoic acid?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]benzoic acid is O=C(O)c1ccc(OCc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]benzoic acid?
The InChIKey is VSTNSBIMTYJAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)17/h1-8H,9H2,(H,16,17).
What are the key properties of 4-[(4-bromophenyl)methoxy]benzoic acid?
4-[(4-bromophenyl)methoxy]benzoic 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 4-[(4-bromophenyl)methoxy]benzoic acid is sourced from PubChem (CID 8706939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).