[4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone

C15H13BrO3 — CID 12709787

IUPAC[4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(OCCBr)cc1
InChIInChI=1S/C15H13BrO3/c16-9-10-19-14-7-3-12(4-8-14)15(18)11-1-5-13(17)6-2-11/h1-8,17H,9-10H2
InChIKeyLEVHOJCNGNSULG-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.40
Rot. Bonds5

About [4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone

[4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone (PubChem CID 12709787) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is [4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone
PubChem CID12709787
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name[4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(OCCBr)cc1
InChIInChI=1S/C15H13BrO3/c16-9-10-19-14-7-3-12(4-8-14)15(18)11-1-5-13(17)6-2-11/h1-8,17H,9-10H2
InChIKeyLEVHOJCNGNSULG-UHFFFAOYSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone (CID 12709787) is [4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)c1ccc(OCCBr)cc1.
What is the InChIKey of [4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone?
The InChIKey is LEVHOJCNGNSULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c16-9-10-19-14-7-3-12(4-8-14)15(18)11-1-5-13(17)6-2-11/h1-8,17H,9-10H2.
What are the key properties of [4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone?
[4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone has a molecular weight of 321.17 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromoethoxy)phenyl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 12709787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).