1-(4-iodophenyl)hex-5-en-1-ol

C12H15IO — CID 115804427

IUPAC1-(4-iodophenyl)hex-5-en-1-ol
SMILESC=CCCCC(O)c1ccc(I)cc1
InChIInChI=1S/C12H15IO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h2,6-9,12,14H,1,3-5H2
InChIKeyMWYMTIQKSCDKJD-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.68
Rot. Bonds5

About 1-(4-iodophenyl)hex-5-en-1-ol

1-(4-iodophenyl)hex-5-en-1-ol (PubChem CID 115804427) has the molecular formula C12H15IO and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-(4-iodophenyl)hex-5-en-1-ol.

Molecular Properties

Compound Name1-(4-iodophenyl)hex-5-en-1-ol
PubChem CID115804427
Molecular FormulaC12H15IO
Molecular Weight302.16 g/mol
Exact Mass302.02
IUPAC Name1-(4-iodophenyl)hex-5-en-1-ol
SMILESC=CCCCC(O)c1ccc(I)cc1
InChIInChI=1S/C12H15IO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h2,6-9,12,14H,1,3-5H2
InChIKeyMWYMTIQKSCDKJD-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)hex-5-en-1-ol
CID 115804443
1-[4-(dimethylamino)phenyl]hex-5-en-1-ol
CID 105102029
1-(4-fluorophenyl)oct-7-en-1-ol
CID 107008476
(1S)-1-(4-iodophenyl)propane-1,3-diol
CID 71066511
3-chloro-1-(4-iodophenyl)propan-1-ol
CID 165357232
(1S)-1-[4-(1,1-difluoroethylsulfanyl)phenyl]hex-5-en-1-ol
CID 134408158
1-(3,5-dimethylphenyl)hex-5-en-1-ol
CID 115804298
1-(4-chloro-3-methylphenyl)hex-5-en-1-ol
CID 115804467
1-(6-methyl-3-pyridinyl)oct-7-en-1-ol
CID 107012151
1-(4-ethoxyphenyl)pent-4-en-1-ol
CID 115804789
1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol
CID 59703119
(3R,4R)-non-8-ene-1,3,4-triol
CID 10866828

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)hex-5-en-1-ol?
The IUPAC name of 1-(4-iodophenyl)hex-5-en-1-ol (CID 115804427) is 1-(4-iodophenyl)hex-5-en-1-ol.
What is the SMILES notation for 1-(4-iodophenyl)hex-5-en-1-ol?
The canonical SMILES for 1-(4-iodophenyl)hex-5-en-1-ol is C=CCCCC(O)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)hex-5-en-1-ol?
The InChIKey is MWYMTIQKSCDKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h2,6-9,12,14H,1,3-5H2.
What are the key properties of 1-(4-iodophenyl)hex-5-en-1-ol?
1-(4-iodophenyl)hex-5-en-1-ol has a molecular weight of 302.16 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)hex-5-en-1-ol is sourced from PubChem (CID 115804427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).