6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol

C18H18N2O2 — CID 166240169

IUPAC6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)CC(O)c2cc(-c3ccc4cn[nH]c4c3)ccc2O1
InChIInChI=1S/C18H18N2O2/c1-18(2)9-16(21)14-7-11(5-6-17(14)22-18)12-3-4-13-10-19-20-15(13)8-12/h3-8,10,16,21H,9H2,1-2H3,(H,19,20)
InChIKeyPBOIFFKWQNMGGQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.82
Rot. Bonds1

About 6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol

6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 166240169) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID166240169
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)CC(O)c2cc(-c3ccc4cn[nH]c4c3)ccc2O1
InChIInChI=1S/C18H18N2O2/c1-18(2)9-16(21)14-7-11(5-6-17(14)22-18)12-3-4-13-10-19-20-15(13)8-12/h3-8,10,16,21H,9H2,1-2H3,(H,19,20)
InChIKeyPBOIFFKWQNMGGQ-UHFFFAOYSA-N
XLogP3.82
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 166240169) is 6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol is CC1(C)CC(O)c2cc(-c3ccc4cn[nH]c4c3)ccc2O1.
What is the InChIKey of 6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is PBOIFFKWQNMGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-18(2)9-16(21)14-7-11(5-6-17(14)22-18)12-3-4-13-10-19-20-15(13)8-12/h3-8,10,16,21H,9H2,1-2H3,(H,19,20).
What are the key properties of 6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 294.35 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-6-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 166240169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).