5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde

C19H18N2O3 — CID 137365980

IUPAC5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde
SMILESO=Cc1nn(C2CCCCO2)c2ccc(-c3cccc(O)c3)cc12
InChIInChI=1S/C19H18N2O3/c22-12-17-16-11-14(13-4-3-5-15(23)10-13)7-8-18(16)21(20-17)19-6-1-2-9-24-19/h3-5,7-8,10-12,19,23H,1-2,6,9H2
InChIKeyWEARUDPUAFVHLY-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.92
Rot. Bonds3

About 5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde

5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde (PubChem CID 137365980) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde
PubChem CID137365980
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde
SMILESO=Cc1nn(C2CCCCO2)c2ccc(-c3cccc(O)c3)cc12
InChIInChI=1S/C19H18N2O3/c22-12-17-16-11-14(13-4-3-5-15(23)10-13)7-8-18(16)21(20-17)19-6-1-2-9-24-19/h3-5,7-8,10-12,19,23H,1-2,6,9H2
InChIKeyWEARUDPUAFVHLY-UHFFFAOYSA-N
XLogP3.92
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 90460795
6-bromo-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 86676267
5-(2-methoxyethoxy)-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 90461100
1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid
CID 86679701
5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole
CID 156792609
1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol
CID 66831605
2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid
CID 166835900
3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole
CID 168525467
5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 162373759
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
3-chloro-1-(oxan-2-yl)indazole
CID 66909910
1-(oxan-2-yl)-3-[1-[4-(3-phenylmethoxypropoxy)butyl]pyrazol-4-yl]indazol-5-ol
CID 165127144

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde?
The IUPAC name of 5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde (CID 137365980) is 5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde.
What is the SMILES notation for 5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde?
The canonical SMILES for 5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde is O=Cc1nn(C2CCCCO2)c2ccc(-c3cccc(O)c3)cc12.
What is the InChIKey of 5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde?
The InChIKey is WEARUDPUAFVHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-12-17-16-11-14(13-4-3-5-15(23)10-13)7-8-18(16)21(20-17)19-6-1-2-9-24-19/h3-5,7-8,10-12,19,23H,1-2,6,9H2.
What are the key properties of 5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde?
5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde has a molecular weight of 322.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde is sourced from PubChem (CID 137365980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).