3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol

C17H26N2O2 — CID 116713352

IUPAC3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol
SMILESCCOC(C(O)Cc1nn(C)c2ccccc12)C(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-6-21-16(17(2,3)4)15(20)11-13-12-9-7-8-10-14(12)19(5)18-13/h7-10,15-16,20H,6,11H2,1-5H3
InChIKeyKQCKNFOVWTZOLP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.93
Rot. Bonds5

About 3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol

3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol (PubChem CID 116713352) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol
PubChem CID116713352
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol
SMILESCCOC(C(O)Cc1nn(C)c2ccccc12)C(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-6-21-16(17(2,3)4)15(20)11-13-12-9-7-8-10-14(12)19(5)18-13/h7-10,15-16,20H,6,11H2,1-5H3
InChIKeyKQCKNFOVWTZOLP-UHFFFAOYSA-N
XLogP2.93
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol
CID 116711328
1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712988
3,3-dimethyl-2-[(1-methylindazol-3-yl)methyl]butanoic acid
CID 83137512
3-ethoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-one
CID 116708638
N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 83139294
3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-one
CID 116707739
5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol
CID 79954762
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol
CID 79450032
3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine
CID 116719859
1-(6-methoxypyridazin-3-yl)-2-(1-methylindazol-3-yl)ethanol
CID 103373474
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol?
The IUPAC name of 3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol (CID 116713352) is 3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol.
What is the SMILES notation for 3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol?
The canonical SMILES for 3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol is CCOC(C(O)Cc1nn(C)c2ccccc12)C(C)(C)C.
What is the InChIKey of 3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol?
The InChIKey is KQCKNFOVWTZOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-21-16(17(2,3)4)15(20)11-13-12-9-7-8-10-14(12)19(5)18-13/h7-10,15-16,20H,6,11H2,1-5H3.
What are the key properties of 3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol?
3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol has a molecular weight of 290.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol is sourced from PubChem (CID 116713352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).