6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol

C16H20N2O2 — CID 103006424

IUPAC6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(CCc1cnn(C)c1)CC2
InChIInChI=1S/C16H20N2O2/c1-18-11-12(10-17-18)5-7-16(19)8-6-13-3-4-14(20-2)9-15(13)16/h3-4,9-11,19H,5-8H2,1-2H3
InChIKeyXJORREASVXOBPT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.20
Rot. Bonds4

About 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol

6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol (PubChem CID 103006424) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol
PubChem CID103006424
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(CCc1cnn(C)c1)CC2
InChIInChI=1S/C16H20N2O2/c1-18-11-12(10-17-18)5-7-16(19)8-6-13-3-4-14(20-2)9-15(13)16/h3-4,9-11,19H,5-8H2,1-2H3
InChIKeyXJORREASVXOBPT-UHFFFAOYSA-N
XLogP2.20
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol (CID 103006424) is 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol is COc1ccc2c(c1)C(O)(CCc1cnn(C)c1)CC2.
What is the InChIKey of 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol?
The InChIKey is XJORREASVXOBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18-11-12(10-17-18)5-7-16(19)8-6-13-3-4-14(20-2)9-15(13)16/h3-4,9-11,19H,5-8H2,1-2H3.
What are the key properties of 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol?
6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol has a molecular weight of 272.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 103006424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).