3-(2-iodo-6-methoxyphenoxy)propan-1-ol

C10H13IO3 — CID 57496438

IUPAC3-(2-iodo-6-methoxyphenoxy)propan-1-ol
SMILESCOc1cccc(I)c1OCCCO
InChIInChI=1S/C10H13IO3/c1-13-9-5-2-4-8(11)10(9)14-7-3-6-12/h2,4-5,12H,3,6-7H2,1H3
InChIKeyVSNPBKVLWDSNOC-UHFFFAOYSA-N
MW308.11 g/mol
LogP2.06
Rot. Bonds5

About 3-(2-iodo-6-methoxyphenoxy)propan-1-ol

3-(2-iodo-6-methoxyphenoxy)propan-1-ol (PubChem CID 57496438) has the molecular formula C10H13IO3 and a molecular weight of 308.11 g/mol. Its IUPAC name is 3-(2-iodo-6-methoxyphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-(2-iodo-6-methoxyphenoxy)propan-1-ol
PubChem CID57496438
Molecular FormulaC10H13IO3
Molecular Weight308.11 g/mol
Exact Mass307.99
IUPAC Name3-(2-iodo-6-methoxyphenoxy)propan-1-ol
SMILESCOc1cccc(I)c1OCCCO
InChIInChI=1S/C10H13IO3/c1-13-9-5-2-4-8(11)10(9)14-7-3-6-12/h2,4-5,12H,3,6-7H2,1H3
InChIKeyVSNPBKVLWDSNOC-UHFFFAOYSA-N
XLogP2.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
5-(2,6-dimethoxyphenoxy)pentan-2-one
CID 43793515
5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 62228603
4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
CID 2181134
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510
2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol
CID 39260375
4-(2,6-dimethoxyphenoxy)butanethioamide
CID 24696993
1,3-diiodo-2-methoxybenzene
CID 12610037
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
1-(bromomethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 60926789

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodo-6-methoxyphenoxy)propan-1-ol?
The IUPAC name of 3-(2-iodo-6-methoxyphenoxy)propan-1-ol (CID 57496438) is 3-(2-iodo-6-methoxyphenoxy)propan-1-ol.
What is the SMILES notation for 3-(2-iodo-6-methoxyphenoxy)propan-1-ol?
The canonical SMILES for 3-(2-iodo-6-methoxyphenoxy)propan-1-ol is COc1cccc(I)c1OCCCO.
What is the InChIKey of 3-(2-iodo-6-methoxyphenoxy)propan-1-ol?
The InChIKey is VSNPBKVLWDSNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO3/c1-13-9-5-2-4-8(11)10(9)14-7-3-6-12/h2,4-5,12H,3,6-7H2,1H3.
What are the key properties of 3-(2-iodo-6-methoxyphenoxy)propan-1-ol?
3-(2-iodo-6-methoxyphenoxy)propan-1-ol has a molecular weight of 308.11 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodo-6-methoxyphenoxy)propan-1-ol is sourced from PubChem (CID 57496438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).