[(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol

C15H19IO — CID 15466422

IUPAC[(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol
SMILESOC(c1ccc(I)cc1)C1/C=C\CCCCC1
InChIInChI=1S/C15H19IO/c16-14-10-8-13(9-11-14)15(17)12-6-4-2-1-3-5-7-12/h4,6,8-12,15,17H,1-3,5,7H2/b6-4-
InChIKeyBLUBBPLWEWJJDR-XQRVVYSFSA-N
MW342.22 g/mol
LogP4.46
Rot. Bonds2

About [(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol

[(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol (PubChem CID 15466422) has the molecular formula C15H19IO and a molecular weight of 342.22 g/mol. Its IUPAC name is [(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol.

Molecular Properties

Compound Name[(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol
PubChem CID15466422
Molecular FormulaC15H19IO
Molecular Weight342.22 g/mol
Exact Mass342.05
IUPAC Name[(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol
SMILESOC(c1ccc(I)cc1)C1/C=C\CCCCC1
InChIInChI=1S/C15H19IO/c16-14-10-8-13(9-11-14)15(17)12-6-4-2-1-3-5-7-12/h4,6,8-12,15,17H,1-3,5,7H2/b6-4-
InChIKeyBLUBBPLWEWJJDR-XQRVVYSFSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohept-2-en-1-yl-(4-methylphenyl)methanol
CID 2754969
(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol
CID 7057143
(S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol
CID 129405457
(R)-[(1S)-cyclohex-2-en-1-yl]-(furan-3-yl)methanol
CID 132573813
(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol
CID 11030459
(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
CID 10900215
(R)-[(1S)-cyclohex-2-en-1-yl]-thiophen-2-ylmethanol
CID 24809226
(4-cyclohexylphenyl)-(4-iodophenyl)methanol
CID 63427013
1-[3-[(R)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]phenyl]ethanone
CID 164671376
[(1R)-cyclohex-2-en-1-yl]methanediol;ethane
CID 143031665
(R)-cyclohexyl-(4-iodophenyl)methanamine
CID 171202889
2-cyclohexyl-1-(4-iodophenyl)ethanamine
CID 115841897

Frequently Asked Questions

What is the IUPAC name of [(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol?
The IUPAC name of [(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol (CID 15466422) is [(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol.
What is the SMILES notation for [(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol?
The canonical SMILES for [(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol is OC(c1ccc(I)cc1)C1/C=C\CCCCC1.
What is the InChIKey of [(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol?
The InChIKey is BLUBBPLWEWJJDR-XQRVVYSFSA-N. The full InChI is InChI=1S/C15H19IO/c16-14-10-8-13(9-11-14)15(17)12-6-4-2-1-3-5-7-12/h4,6,8-12,15,17H,1-3,5,7H2/b6-4-.
What are the key properties of [(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol?
[(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol has a molecular weight of 342.22 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol is sourced from PubChem (CID 15466422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).