1-(4-iodophenoxy)propan-2-ol

C9H11IO2 — CID 65277775

IUPAC1-(4-iodophenoxy)propan-2-ol
SMILESCC(O)COc1ccc(I)cc1
InChIInChI=1S/C9H11IO2/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3
InChIKeyLBFSBWUGKQEQSK-UHFFFAOYSA-N
MW278.09 g/mol
LogP2.05
Rot. Bonds3

About 1-(4-iodophenoxy)propan-2-ol

1-(4-iodophenoxy)propan-2-ol (PubChem CID 65277775) has the molecular formula C9H11IO2 and a molecular weight of 278.09 g/mol. Its IUPAC name is 1-(4-iodophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-iodophenoxy)propan-2-ol
PubChem CID65277775
Molecular FormulaC9H11IO2
Molecular Weight278.09 g/mol
Exact Mass277.98
IUPAC Name1-(4-iodophenoxy)propan-2-ol
SMILESCC(O)COc1ccc(I)cc1
InChIInChI=1S/C9H11IO2/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3
InChIKeyLBFSBWUGKQEQSK-UHFFFAOYSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 52.05
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

1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
CID 161419834
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
ethane;1-phenoxypropan-2-ol
CID 90926921
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
bis[4-(2-hydroxypropoxy)phenyl]-dimethylazanium;methane
CID 161004546
methyl 3-(4-iodophenoxy)-2-methylpropanoate
CID 43538009
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
1-(4-iodophenoxy)propan-2-yl carbamate
CID 175114325
1-(4-pyridin-4-yloxyphenoxy)propan-2-ol
CID 19982181
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
acetic acid;1-phenoxypropan-2-ol
CID 68567525
1-[4-[(1S)-1-aminopropyl]phenoxy]propan-2-ol
CID 63367838

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenoxy)propan-2-ol?
The IUPAC name of 1-(4-iodophenoxy)propan-2-ol (CID 65277775) is 1-(4-iodophenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-iodophenoxy)propan-2-ol?
The canonical SMILES for 1-(4-iodophenoxy)propan-2-ol is CC(O)COc1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenoxy)propan-2-ol?
The InChIKey is LBFSBWUGKQEQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO2/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3.
What are the key properties of 1-(4-iodophenoxy)propan-2-ol?
1-(4-iodophenoxy)propan-2-ol has a molecular weight of 278.09 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenoxy)propan-2-ol is sourced from PubChem (CID 65277775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).