[2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol

C14H18N2O3 — CID 104659584

IUPAC[2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol
SMILESCOCCOc1ccccc1C(O)c1ccn(C)n1
InChIInChI=1S/C14H18N2O3/c1-16-8-7-12(15-16)14(17)11-5-3-4-6-13(11)19-10-9-18-2/h3-8,14,17H,9-10H2,1-2H3
InChIKeyDURNMHMNLABOLN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.53
Rot. Bonds6

About [2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol

[2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol (PubChem CID 104659584) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol
PubChem CID104659584
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol
SMILESCOCCOc1ccccc1C(O)c1ccn(C)n1
InChIInChI=1S/C14H18N2O3/c1-16-8-7-12(15-16)14(17)11-5-3-4-6-13(11)19-10-9-18-2/h3-8,14,17H,9-10H2,1-2H3
InChIKeyDURNMHMNLABOLN-UHFFFAOYSA-N
XLogP1.53
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
[2-(2-methoxyethoxy)phenyl]-(3-methyl-2-pyridinyl)methanol
CID 104659512
[2-(2-methoxyethoxy)phenyl]-(2-methylfuran-3-yl)methanol
CID 104789530
[2-(2-methoxyethoxy)phenyl]-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105125520
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
(3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104659559
N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200592
[[2-(2-methoxyethoxy)phenyl]-phenylmethyl]-trimethylsilane
CID 72952828

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of [2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol (CID 104659584) is [2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for [2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for [2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol is COCCOc1ccccc1C(O)c1ccn(C)n1.
What is the InChIKey of [2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol?
The InChIKey is DURNMHMNLABOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16-8-7-12(15-16)14(17)11-5-3-4-6-13(11)19-10-9-18-2/h3-8,14,17H,9-10H2,1-2H3.
What are the key properties of [2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol?
[2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol has a molecular weight of 262.31 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 104659584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).