1-iodo-3-(3-methoxyphenoxy)propan-2-ol

C10H13IO3 — CID 86028408

IUPAC1-iodo-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)CI)c1
InChIInChI=1S/C10H13IO3/c1-13-9-3-2-4-10(5-9)14-7-8(12)6-11/h2-5,8,12H,6-7H2,1H3
InChIKeyJJUWTPDIMVCAIC-UHFFFAOYSA-N
MW308.12 g/mol
LogP1.87
Rot. Bonds5

About 1-iodo-3-(3-methoxyphenoxy)propan-2-ol

1-iodo-3-(3-methoxyphenoxy)propan-2-ol (PubChem CID 86028408) has the molecular formula C10H13IO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is 1-iodo-3-(3-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-iodo-3-(3-methoxyphenoxy)propan-2-ol
PubChem CID86028408
Molecular FormulaC10H13IO3
Molecular Weight308.12 g/mol
Exact Mass307.99
IUPAC Name1-iodo-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)CI)c1
InChIInChI=1S/C10H13IO3/c1-13-9-3-2-4-10(5-9)14-7-8(12)6-11/h2-5,8,12H,6-7H2,1H3
InChIKeyJJUWTPDIMVCAIC-UHFFFAOYSA-N
XLogP1.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
3-hydroxy-4-(3-methoxyphenoxy)butanenitrile
CID 13010437
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
1-(2-iodoanilino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60901769
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
1-(furan-2-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 117246144
1-(3-methoxyphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2892284
3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol
CID 114228799
1-(3-methoxyphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 4742984
(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 737489

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-(3-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-iodo-3-(3-methoxyphenoxy)propan-2-ol (CID 86028408) is 1-iodo-3-(3-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-iodo-3-(3-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-iodo-3-(3-methoxyphenoxy)propan-2-ol is COc1cccc(OCC(O)CI)c1.
What is the InChIKey of 1-iodo-3-(3-methoxyphenoxy)propan-2-ol?
The InChIKey is JJUWTPDIMVCAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO3/c1-13-9-3-2-4-10(5-9)14-7-8(12)6-11/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 1-iodo-3-(3-methoxyphenoxy)propan-2-ol?
1-iodo-3-(3-methoxyphenoxy)propan-2-ol has a molecular weight of 308.12 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-(3-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 86028408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).