2-(4-iodophenyl)-4-methylpent-4-en-2-ol

C12H15IO — CID 13328616

IUPAC2-(4-iodophenyl)-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(C)(O)c1ccc(I)cc1
InChIInChI=1S/C12H15IO/c1-9(2)8-12(3,14)10-4-6-11(13)7-5-10/h4-7,14H,1,8H2,2-3H3
InChIKeyQJDMJUCJCLTSAV-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.46
Rot. Bonds3

About 2-(4-iodophenyl)-4-methylpent-4-en-2-ol

2-(4-iodophenyl)-4-methylpent-4-en-2-ol (PubChem CID 13328616) has the molecular formula C12H15IO and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-(4-iodophenyl)-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name2-(4-iodophenyl)-4-methylpent-4-en-2-ol
PubChem CID13328616
Molecular FormulaC12H15IO
Molecular Weight302.16 g/mol
Exact Mass302.02
IUPAC Name2-(4-iodophenyl)-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(C)(O)c1ccc(I)cc1
InChIInChI=1S/C12H15IO/c1-9(2)8-12(3,14)10-4-6-11(13)7-5-10/h4-7,14H,1,8H2,2-3H3
InChIKeyQJDMJUCJCLTSAV-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.46
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

acetic acid;1-tert-butyl-4-iodobenzene
CID 172850232
4-cyclopentyl-2-(4-iodophenyl)butan-2-ol
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CID 170407993
1-tert-butyl-4-(4-iodo-2-methylpent-4-en-2-yl)benzene
CID 155431934
2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol
CID 71722424
ethyl 2-(4-iodophenyl)-2-methylpropanoate
CID 18801050
2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 114083203
2-phenyl-4-trimethylstannylpent-4-en-2-ol
CID 14290604
3-hydroxy-5-methyl-3-phenylhex-5-en-2-one
CID 11769614
(1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine
CID 130815078
(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
CID 119090994
1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene
CID 146167604

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-4-methylpent-4-en-2-ol?
The IUPAC name of 2-(4-iodophenyl)-4-methylpent-4-en-2-ol (CID 13328616) is 2-(4-iodophenyl)-4-methylpent-4-en-2-ol.
What is the SMILES notation for 2-(4-iodophenyl)-4-methylpent-4-en-2-ol?
The canonical SMILES for 2-(4-iodophenyl)-4-methylpent-4-en-2-ol is C=C(C)CC(C)(O)c1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)-4-methylpent-4-en-2-ol?
The InChIKey is QJDMJUCJCLTSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO/c1-9(2)8-12(3,14)10-4-6-11(13)7-5-10/h4-7,14H,1,8H2,2-3H3.
What are the key properties of 2-(4-iodophenyl)-4-methylpent-4-en-2-ol?
2-(4-iodophenyl)-4-methylpent-4-en-2-ol has a molecular weight of 302.16 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-4-methylpent-4-en-2-ol is sourced from PubChem (CID 13328616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).