(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol

C11H15IO3 — CID 45371684

IUPAC(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol
SMILESCOc1cc(CO)cc(I)c1OC(C)C
InChIInChI=1S/C11H15IO3/c1-7(2)15-11-9(12)4-8(6-13)5-10(11)14-3/h4-5,7,13H,6H2,1-3H3
InChIKeyMORKOUSSEURQET-UHFFFAOYSA-N
MW322.14 g/mol
LogP2.58
Rot. Bonds4

About (3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol

(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol (PubChem CID 45371684) has the molecular formula C11H15IO3 and a molecular weight of 322.14 g/mol. Its IUPAC name is (3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol
PubChem CID45371684
Molecular FormulaC11H15IO3
Molecular Weight322.14 g/mol
Exact Mass322.01
IUPAC Name(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol
SMILESCOc1cc(CO)cc(I)c1OC(C)C
InChIInChI=1S/C11H15IO3/c1-7(2)15-11-9(12)4-8(6-13)5-10(11)14-3/h4-5,7,13H,6H2,1-3H3
InChIKeyMORKOUSSEURQET-UHFFFAOYSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol
CID 45371618
(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
CID 2236096
(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methyl-[(1R,2R)-2-methylcyclohexyl]azanium
CID 2236098
[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol
CID 1319055
5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene
CID 118818993
(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
CID 158865667
1-(3,4-dimethoxyphenyl)-N-[(E)-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]methanamine
CID 133169189
(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol
CID 114013408
(3,4,5-triiodophenyl)methanol
CID 53401071
1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
CID 11189277
2-[4-(hydroxymethyl)-2-iodo-6-methoxyphenoxy]-N-pentylacetamide
CID 167759308
1-[(3-iodo-4,5-dimethoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 119134636

Frequently Asked Questions

What is the IUPAC name of (3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol?
The IUPAC name of (3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol (CID 45371684) is (3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol is COc1cc(CO)cc(I)c1OC(C)C.
What is the InChIKey of (3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol?
The InChIKey is MORKOUSSEURQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO3/c1-7(2)15-11-9(12)4-8(6-13)5-10(11)14-3/h4-5,7,13H,6H2,1-3H3.
What are the key properties of (3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol?
(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol has a molecular weight of 322.14 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 45371684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).