(3-bromo-4-iodophenyl)methanol

C7H6BrIO — CID 16641080

IUPAC(3-bromo-4-iodophenyl)methanol
SMILESOCc1ccc(I)c(Br)c1
InChIInChI=1S/C7H6BrIO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2
InChIKeyUKBWGDPWHYKLAY-UHFFFAOYSA-N
MW312.93 g/mol
LogP2.55
Rot. Bonds1

About (3-bromo-4-iodophenyl)methanol

(3-bromo-4-iodophenyl)methanol (PubChem CID 16641080) has the molecular formula C7H6BrIO and a molecular weight of 312.93 g/mol. Its IUPAC name is (3-bromo-4-iodophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-iodophenyl)methanol
PubChem CID16641080
Molecular FormulaC7H6BrIO
Molecular Weight312.93 g/mol
Exact Mass311.86
IUPAC Name(3-bromo-4-iodophenyl)methanol
SMILESOCc1ccc(I)c(Br)c1
InChIInChI=1S/C7H6BrIO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2
InChIKeyUKBWGDPWHYKLAY-UHFFFAOYSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.93
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-iodophenyl)methanol?
The IUPAC name of (3-bromo-4-iodophenyl)methanol (CID 16641080) is (3-bromo-4-iodophenyl)methanol.
What is the SMILES notation for (3-bromo-4-iodophenyl)methanol?
The canonical SMILES for (3-bromo-4-iodophenyl)methanol is OCc1ccc(I)c(Br)c1.
What is the InChIKey of (3-bromo-4-iodophenyl)methanol?
The InChIKey is UKBWGDPWHYKLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrIO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2.
What are the key properties of (3-bromo-4-iodophenyl)methanol?
(3-bromo-4-iodophenyl)methanol has a molecular weight of 312.93 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-iodophenyl)methanol is sourced from PubChem (CID 16641080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).