[4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol

C12H17IO3 — CID 176847846

IUPAC[4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol
SMILESCCOC(C)Oc1c(C)cc(CO)cc1I
InChIInChI=1S/C12H17IO3/c1-4-15-9(3)16-12-8(2)5-10(7-14)6-11(12)13/h5-6,9,14H,4,7H2,1-3H3
InChIKeyNYKAEPSPJZYWIG-UHFFFAOYSA-N
MW336.17 g/mol
LogP2.85
Rot. Bonds5

About [4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol

[4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol (PubChem CID 176847846) has the molecular formula C12H17IO3 and a molecular weight of 336.17 g/mol. Its IUPAC name is [4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol
PubChem CID176847846
Molecular FormulaC12H17IO3
Molecular Weight336.17 g/mol
Exact Mass336.02
IUPAC Name[4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol
SMILESCCOC(C)Oc1c(C)cc(CO)cc1I
InChIInChI=1S/C12H17IO3/c1-4-15-9(3)16-12-8(2)5-10(7-14)6-11(12)13/h5-6,9,14H,4,7H2,1-3H3
InChIKeyNYKAEPSPJZYWIG-UHFFFAOYSA-N
XLogP2.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol?
The IUPAC name of [4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol (CID 176847846) is [4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol.
What is the SMILES notation for [4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol?
The canonical SMILES for [4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol is CCOC(C)Oc1c(C)cc(CO)cc1I.
What is the InChIKey of [4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol?
The InChIKey is NYKAEPSPJZYWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO3/c1-4-15-9(3)16-12-8(2)5-10(7-14)6-11(12)13/h5-6,9,14H,4,7H2,1-3H3.
What are the key properties of [4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol?
[4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol has a molecular weight of 336.17 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol is sourced from PubChem (CID 176847846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).