4-(4-iodophenyl)but-1-en-2-ol

C10H11IO — CID 129142686

IUPAC4-(4-iodophenyl)but-1-en-2-ol
SMILESC=C(O)CCc1ccc(I)cc1
InChIInChI=1S/C10H11IO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7,12H,1-3H2
InChIKeyDWMJNUZUTZFPFK-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.30
Rot. Bonds3

About 4-(4-iodophenyl)but-1-en-2-ol

4-(4-iodophenyl)but-1-en-2-ol (PubChem CID 129142686) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 4-(4-iodophenyl)but-1-en-2-ol.

Molecular Properties

Compound Name4-(4-iodophenyl)but-1-en-2-ol
PubChem CID129142686
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name4-(4-iodophenyl)but-1-en-2-ol
SMILESC=C(O)CCc1ccc(I)cc1
InChIInChI=1S/C10H11IO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7,12H,1-3H2
InChIKeyDWMJNUZUTZFPFK-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorobut-3-enyl)-4-iodobenzene
CID 134402164
3-(4-iodophenyl)propanethioic S-acid
CID 18003770
4-(4-iodophenyl)butanoic acid
CID 4645427
1,1,1-trifluoro-4-(4-iodophenyl)butan-2-one
CID 117047036
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
CID 155601608
CID 155601608
4-(4-iodophenyl)butanoate
CID 41097881
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
(2R)-2-amino-4-(4-iodophenyl)butanoic acid
CID 172894210
6-(4-iodophenyl)-2,2-dimethylhexane-3-thione
CID 134309816
4-(4-iodophenyl)-N-methylbutanamide
CID 148600520
2-[5-(4-iodophenyl)pentanoylamino]acetic acid
CID 119350131

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)but-1-en-2-ol?
The IUPAC name of 4-(4-iodophenyl)but-1-en-2-ol (CID 129142686) is 4-(4-iodophenyl)but-1-en-2-ol.
What is the SMILES notation for 4-(4-iodophenyl)but-1-en-2-ol?
The canonical SMILES for 4-(4-iodophenyl)but-1-en-2-ol is C=C(O)CCc1ccc(I)cc1.
What is the InChIKey of 4-(4-iodophenyl)but-1-en-2-ol?
The InChIKey is DWMJNUZUTZFPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7,12H,1-3H2.
What are the key properties of 4-(4-iodophenyl)but-1-en-2-ol?
4-(4-iodophenyl)but-1-en-2-ol has a molecular weight of 274.10 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)but-1-en-2-ol is sourced from PubChem (CID 129142686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).