4-(3-bromopropyl)-2-phenylphenol

C15H15BrO — CID 174496150

IUPAC4-(3-bromopropyl)-2-phenylphenol
SMILESOc1ccc(CCCBr)cc1-c1ccccc1
InChIInChI=1S/C15H15BrO/c16-10-4-5-12-8-9-15(17)14(11-12)13-6-2-1-3-7-13/h1-3,6-9,11,17H,4-5,10H2
InChIKeyZUDKAFCRIIVXME-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.39
Rot. Bonds4

About 4-(3-bromopropyl)-2-phenylphenol

4-(3-bromopropyl)-2-phenylphenol (PubChem CID 174496150) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 4-(3-bromopropyl)-2-phenylphenol.

Molecular Properties

Compound Name4-(3-bromopropyl)-2-phenylphenol
PubChem CID174496150
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name4-(3-bromopropyl)-2-phenylphenol
SMILESOc1ccc(CCCBr)cc1-c1ccccc1
InChIInChI=1S/C15H15BrO/c16-10-4-5-12-8-9-15(17)14(11-12)13-6-2-1-3-7-13/h1-3,6-9,11,17H,4-5,10H2
InChIKeyZUDKAFCRIIVXME-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3-bromopropyl)-2-phenylphenol?
The IUPAC name of 4-(3-bromopropyl)-2-phenylphenol (CID 174496150) is 4-(3-bromopropyl)-2-phenylphenol.
What is the SMILES notation for 4-(3-bromopropyl)-2-phenylphenol?
The canonical SMILES for 4-(3-bromopropyl)-2-phenylphenol is Oc1ccc(CCCBr)cc1-c1ccccc1.
What is the InChIKey of 4-(3-bromopropyl)-2-phenylphenol?
The InChIKey is ZUDKAFCRIIVXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c16-10-4-5-12-8-9-15(17)14(11-12)13-6-2-1-3-7-13/h1-3,6-9,11,17H,4-5,10H2.
What are the key properties of 4-(3-bromopropyl)-2-phenylphenol?
4-(3-bromopropyl)-2-phenylphenol has a molecular weight of 291.19 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropyl)-2-phenylphenol is sourced from PubChem (CID 174496150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).