5-chloro-1-iodocyclohexa-2,4-dien-1-ol

C6H6ClIO — CID 67435049

IUPAC5-chloro-1-iodocyclohexa-2,4-dien-1-ol
SMILESOC1(I)C=CC=C(Cl)C1
InChIInChI=1S/C6H6ClIO/c7-5-2-1-3-6(8,9)4-5/h1-3,9H,4H2
InChIKeyMNHHPSZWDLULCV-UHFFFAOYSA-N
MW256.47 g/mol
LogP2.19
Rot. Bonds

About 5-chloro-1-iodocyclohexa-2,4-dien-1-ol

5-chloro-1-iodocyclohexa-2,4-dien-1-ol (PubChem CID 67435049) has the molecular formula C6H6ClIO and a molecular weight of 256.47 g/mol. Its IUPAC name is 5-chloro-1-iodocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-chloro-1-iodocyclohexa-2,4-dien-1-ol
PubChem CID67435049
Molecular FormulaC6H6ClIO
Molecular Weight256.47 g/mol
Exact Mass255.92
IUPAC Name5-chloro-1-iodocyclohexa-2,4-dien-1-ol
SMILESOC1(I)C=CC=C(Cl)C1
InChIInChI=1S/C6H6ClIO/c7-5-2-1-3-6(8,9)4-5/h1-3,9H,4H2
InChIKeyMNHHPSZWDLULCV-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-iodocyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-chloro-1-iodocyclohexa-2,4-dien-1-ol (CID 67435049) is 5-chloro-1-iodocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-chloro-1-iodocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-chloro-1-iodocyclohexa-2,4-dien-1-ol is OC1(I)C=CC=C(Cl)C1.
What is the InChIKey of 5-chloro-1-iodocyclohexa-2,4-dien-1-ol?
The InChIKey is MNHHPSZWDLULCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClIO/c7-5-2-1-3-6(8,9)4-5/h1-3,9H,4H2.
What are the key properties of 5-chloro-1-iodocyclohexa-2,4-dien-1-ol?
5-chloro-1-iodocyclohexa-2,4-dien-1-ol has a molecular weight of 256.47 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-iodocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67435049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).