4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol

C7H8ClIO — CID 174892238

IUPAC4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol
SMILESOC1(I)C=CC(CCl)=CC1
InChIInChI=1S/C7H8ClIO/c8-5-6-1-3-7(9,10)4-2-6/h1-3,10H,4-5H2
InChIKeyPQZXTFAKDNKLFZ-UHFFFAOYSA-N
MW270.50 g/mol
LogP2.24
Rot. Bonds1

About 4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol

4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol (PubChem CID 174892238) has the molecular formula C7H8ClIO and a molecular weight of 270.50 g/mol. Its IUPAC name is 4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol
PubChem CID174892238
Molecular FormulaC7H8ClIO
Molecular Weight270.50 g/mol
Exact Mass269.93
IUPAC Name4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol
SMILESOC1(I)C=CC(CCl)=CC1
InChIInChI=1S/C7H8ClIO/c8-5-6-1-3-7(9,10)4-2-6/h1-3,10H,4-5H2
InChIKeyPQZXTFAKDNKLFZ-UHFFFAOYSA-N
XLogP2.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 52.24
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 4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol (CID 174892238) is 4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol is OC1(I)C=CC(CCl)=CC1.
What is the InChIKey of 4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol?
The InChIKey is PQZXTFAKDNKLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClIO/c8-5-6-1-3-7(9,10)4-2-6/h1-3,10H,4-5H2.
What are the key properties of 4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol?
4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol has a molecular weight of 270.50 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-iodocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174892238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).