1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol

C13H19IO2 — CID 103028149

IUPAC1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1ccccc1I
InChIInChI=1S/C13H19IO2/c1-13(2,16-3)9-8-12(15)10-6-4-5-7-11(10)14/h4-7,12,15H,8-9H2,1-3H3
InChIKeySLRVLCQDHGEJRM-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.53
Rot. Bonds5

About 1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol

1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103028149) has the molecular formula C13H19IO2 and a molecular weight of 334.20 g/mol. Its IUPAC name is 1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103028149
Molecular FormulaC13H19IO2
Molecular Weight334.20 g/mol
Exact Mass334.04
IUPAC Name1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1ccccc1I
InChIInChI=1S/C13H19IO2/c1-13(2,16-3)9-8-12(15)10-6-4-5-7-11(10)14/h4-7,12,15H,8-9H2,1-3H3
InChIKeySLRVLCQDHGEJRM-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol
CID 103028394
1-(2-iodophenyl)-2-methoxyethanol
CID 115819112
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028378
1-(2-iodophenyl)-5-methylhexan-1-ol
CID 115829982
8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol
CID 70502120
4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol
CID 103028273
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol
CID 103035139
1-(2-iodophenyl)-3-phenylpropan-1-ol
CID 14918705
2-amino-1-(2-iodophenyl)ethanol
CID 14059960
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol (CID 103028149) is 1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CCC(O)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is SLRVLCQDHGEJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IO2/c1-13(2,16-3)9-8-12(15)10-6-4-5-7-11(10)14/h4-7,12,15H,8-9H2,1-3H3.
What are the key properties of 1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol?
1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 334.20 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103028149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).