(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol

C10H15NO3 — CID 91374790

IUPAC(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol
SMILESCc1ccc(OC(C)C)c(C(O)O)n1
InChIInChI=1S/C10H15NO3/c1-6(2)14-8-5-4-7(3)11-9(8)10(12)13/h4-6,10,12-13H,1-3H3
InChIKeyQANFRODFPNKRSI-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.16
Rot. Bonds3

About (6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol

(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol (PubChem CID 91374790) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol.

Molecular Properties

Compound Name(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol
PubChem CID91374790
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol
SMILESCc1ccc(OC(C)C)c(C(O)O)n1
InChIInChI=1S/C10H15NO3/c1-6(2)14-8-5-4-7(3)11-9(8)10(12)13/h4-6,10,12-13H,1-3H3
InChIKeyQANFRODFPNKRSI-UHFFFAOYSA-N
XLogP1.16
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol?
The IUPAC name of (6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol (CID 91374790) is (6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol.
What is the SMILES notation for (6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol?
The canonical SMILES for (6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol is Cc1ccc(OC(C)C)c(C(O)O)n1.
What is the InChIKey of (6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol?
The InChIKey is QANFRODFPNKRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(2)14-8-5-4-7(3)11-9(8)10(12)13/h4-6,10,12-13H,1-3H3.
What are the key properties of (6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol?
(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol has a molecular weight of 197.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-propan-2-yloxy-2-pyridinyl)methanediol is sourced from PubChem (CID 91374790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).