4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol

C18H16N2O3 — CID 135566732

IUPAC4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(O)cc3)c1C2
InChIInChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)
InChIKeyYXCSLEHSWRLDHG-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.37
Rot. Bonds3

About 4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol

4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol (PubChem CID 135566732) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol
PubChem CID135566732
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(O)cc3)c1C2
InChIInChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)
InChIKeyYXCSLEHSWRLDHG-UHFFFAOYSA-N
XLogP3.37
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol?
The IUPAC name of 4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol (CID 135566732) is 4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol.
What is the SMILES notation for 4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol?
The canonical SMILES for 4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol is COc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(O)cc3)c1C2.
What is the InChIKey of 4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol?
The InChIKey is YXCSLEHSWRLDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20).
What are the key properties of 4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol?
4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol has a molecular weight of 308.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenol is sourced from PubChem (CID 135566732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).