(3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol

C15H16INO2 — CID 115829366

IUPAC(3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
SMILESCC(C)Oc1cncc(C(O)c2cccc(I)c2)c1
InChIInChI=1S/C15H16INO2/c1-10(2)19-14-7-12(8-17-9-14)15(18)11-4-3-5-13(16)6-11/h3-10,15,18H,1-2H3
InChIKeyRCRWSMRTDOHYPX-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.56
Rot. Bonds4

About (3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol

(3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol (PubChem CID 115829366) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is (3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
PubChem CID115829366
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC Name(3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
SMILESCC(C)Oc1cncc(C(O)c2cccc(I)c2)c1
InChIInChI=1S/C15H16INO2/c1-10(2)19-14-7-12(8-17-9-14)15(18)11-4-3-5-13(16)6-11/h3-10,15,18H,1-2H3
InChIKeyRCRWSMRTDOHYPX-UHFFFAOYSA-N
XLogP3.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.56
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

(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895183
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829386
(3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 115823656
(3-chloro-2-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103443499
(5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115829389
(3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829414
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106695525
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
(2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 114030462

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The IUPAC name of (3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol (CID 115829366) is (3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol.
What is the SMILES notation for (3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The canonical SMILES for (3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol is CC(C)Oc1cncc(C(O)c2cccc(I)c2)c1.
What is the InChIKey of (3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The InChIKey is RCRWSMRTDOHYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2/c1-10(2)19-14-7-12(8-17-9-14)15(18)11-4-3-5-13(16)6-11/h3-10,15,18H,1-2H3.
What are the key properties of (3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
(3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol has a molecular weight of 369.20 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol is sourced from PubChem (CID 115829366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).