1-[4-(bromomethyl)phenyl]ethanol

C9H11BrO — CID 90882765

IUPAC1-[4-(bromomethyl)phenyl]ethanol
SMILESCC(O)c1ccc(CBr)cc1
InChIInChI=1S/C9H11BrO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,6H2,1H3
InChIKeyJCMSXOKRZLVZSB-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.63
Rot. Bonds2

About 1-[4-(bromomethyl)phenyl]ethanol

1-[4-(bromomethyl)phenyl]ethanol (PubChem CID 90882765) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-[4-(bromomethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(bromomethyl)phenyl]ethanol
PubChem CID90882765
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name1-[4-(bromomethyl)phenyl]ethanol
SMILESCC(O)c1ccc(CBr)cc1
InChIInChI=1S/C9H11BrO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,6H2,1H3
InChIKeyJCMSXOKRZLVZSB-UHFFFAOYSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.63
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 1-[4-(bromomethyl)phenyl]ethanol?
The IUPAC name of 1-[4-(bromomethyl)phenyl]ethanol (CID 90882765) is 1-[4-(bromomethyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(bromomethyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(bromomethyl)phenyl]ethanol is CC(O)c1ccc(CBr)cc1.
What is the InChIKey of 1-[4-(bromomethyl)phenyl]ethanol?
The InChIKey is JCMSXOKRZLVZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,6H2,1H3.
What are the key properties of 1-[4-(bromomethyl)phenyl]ethanol?
1-[4-(bromomethyl)phenyl]ethanol has a molecular weight of 215.09 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)phenyl]ethanol is sourced from PubChem (CID 90882765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).