2-(iodomethyl)cyclohexa-2,4-dien-1-ol

C7H9IO — CID 89322275

IUPAC2-(iodomethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1CC=CC=C1CI
InChIInChI=1S/C7H9IO/c8-5-6-3-1-2-4-7(6)9/h1-3,7,9H,4-5H2
InChIKeyQJUYQQZRRBKKBN-UHFFFAOYSA-N
MW236.05 g/mol
LogP1.67
Rot. Bonds1

About 2-(iodomethyl)cyclohexa-2,4-dien-1-ol

2-(iodomethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 89322275) has the molecular formula C7H9IO and a molecular weight of 236.05 g/mol. Its IUPAC name is 2-(iodomethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-(iodomethyl)cyclohexa-2,4-dien-1-ol
PubChem CID89322275
Molecular FormulaC7H9IO
Molecular Weight236.05 g/mol
Exact Mass235.97
IUPAC Name2-(iodomethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1CC=CC=C1CI
InChIInChI=1S/C7H9IO/c8-5-6-3-1-2-4-7(6)9/h1-3,7,9H,4-5H2
InChIKeyQJUYQQZRRBKKBN-UHFFFAOYSA-N
XLogP1.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.05
LogP ≤ 51.67
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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Related Compounds

(1R)-4-methylcyclohexa-2,4-dien-1-ol
CID 118873769
3-Cyclohexen-1-ol-5-methylene-6-isopropylene
CID 91751033
(3E,5Z)-6-iodo-3-methylhexa-3,5-dien-2-ol
CID 134898136
(1S,2S)-3-Iodocyclohexa-3,5-diene-1,2-diol
CID 10900672
(1S)-cyclohexa-2,4-dien-1-ol
CID 12024285
Cyclohexa-2,4-dien-1-ol
CID 12611534
Cyclohexa-1,5-dien-1-ylmethanol
CID 13444225
4-Methylcyclohexa-2,4-dien-1-ol
CID 14809573
Methylenphenol
CID 17896882
6-Methylene-2,4-dimethylphenol
CID 20026257
3,4-Dihydrophenyl ethanol
CID 20320943
3-Methyl-3,5-cyclohexanedienol
CID 21525082

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-(iodomethyl)cyclohexa-2,4-dien-1-ol (CID 89322275) is 2-(iodomethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-(iodomethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-(iodomethyl)cyclohexa-2,4-dien-1-ol is OC1CC=CC=C1CI.
What is the InChIKey of 2-(iodomethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is QJUYQQZRRBKKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IO/c8-5-6-3-1-2-4-7(6)9/h1-3,7,9H,4-5H2.
What are the key properties of 2-(iodomethyl)cyclohexa-2,4-dien-1-ol?
2-(iodomethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 236.05 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 89322275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).