1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol

C14H18N2O2 — CID 82895318

IUPAC1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol
SMILESCOc1cc(C)nc(Cn2cccc2C(C)O)c1
InChIInChI=1S/C14H18N2O2/c1-10-7-13(18-3)8-12(15-10)9-16-6-4-5-14(16)11(2)17/h4-8,11,17H,9H2,1-3H3
InChIKeyFDGOFWVOXJZOJX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.30
Rot. Bonds4

About 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol

1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol (PubChem CID 82895318) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol
PubChem CID82895318
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol
SMILESCOc1cc(C)nc(Cn2cccc2C(C)O)c1
InChIInChI=1S/C14H18N2O2/c1-10-7-13(18-3)8-12(15-10)9-16-6-4-5-14(16)11(2)17/h4-8,11,17H,9H2,1-3H3
InChIKeyFDGOFWVOXJZOJX-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol?
The IUPAC name of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol (CID 82895318) is 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol is COc1cc(C)nc(Cn2cccc2C(C)O)c1.
What is the InChIKey of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol?
The InChIKey is FDGOFWVOXJZOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-7-13(18-3)8-12(15-10)9-16-6-4-5-14(16)11(2)17/h4-8,11,17H,9H2,1-3H3.
What are the key properties of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol?
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 82895318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).