2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol

C15H18N2O2 — CID 114554040

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)CC1CCOc2ccccc21
InChIInChI=1S/C15H18N2O2/c1-17-13(6-8-16-17)14(18)10-11-7-9-19-15-5-3-2-4-12(11)15/h2-6,8,11,14,18H,7,9-10H2,1H3
InChIKeyADXTXZPCHQMKFS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.41
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol

2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 114554040) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID114554040
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)CC1CCOc2ccccc21
InChIInChI=1S/C15H18N2O2/c1-17-13(6-8-16-17)14(18)10-11-7-9-19-15-5-3-2-4-12(11)15/h2-6,8,11,14,18H,7,9-10H2,1H3
InChIKeyADXTXZPCHQMKFS-UHFFFAOYSA-N
XLogP2.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114557033
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 104770067
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578
2-cyclopentyl-1-(2-methylpyrazol-3-yl)ethanol
CID 114554130
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 104769214
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
CID 104769164
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol
CID 104769223
1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 104770056
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylbutanoic acid
CID 113451184
1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831877

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol (CID 114554040) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol is Cn1nccc1C(O)CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is ADXTXZPCHQMKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-13(6-8-16-17)14(18)10-11-7-9-19-15-5-3-2-4-12(11)15/h2-6,8,11,14,18H,7,9-10H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol has a molecular weight of 258.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114554040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).