3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol

C22H18N2O2 — CID 127049643

IUPAC3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol
SMILESOc1cccc(C2NN=C3c4ccccc4OC(c4ccccc4)C32)c1
InChIInChI=1S/C22H18N2O2/c25-16-10-6-9-15(13-16)20-19-21(24-23-20)17-11-4-5-12-18(17)26-22(19)14-7-2-1-3-8-14/h1-13,19-20,22-23,25H
InChIKeyIAICKVWVHDWAKX-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.19
Rot. Bonds2

About 3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol

3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol (PubChem CID 127049643) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol.

Molecular Properties

Compound Name3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol
PubChem CID127049643
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol
SMILESOc1cccc(C2NN=C3c4ccccc4OC(c4ccccc4)C32)c1
InChIInChI=1S/C22H18N2O2/c25-16-10-6-9-15(13-16)20-19-21(24-23-20)17-11-4-5-12-18(17)26-22(19)14-7-2-1-3-8-14/h1-13,19-20,22-23,25H
InChIKeyIAICKVWVHDWAKX-UHFFFAOYSA-N
XLogP4.19
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol?
The IUPAC name of 3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol (CID 127049643) is 3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol.
What is the SMILES notation for 3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol?
The canonical SMILES for 3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol is Oc1cccc(C2NN=C3c4ccccc4OC(c4ccccc4)C32)c1.
What is the InChIKey of 3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol?
The InChIKey is IAICKVWVHDWAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-16-10-6-9-15(13-16)20-19-21(24-23-20)17-11-4-5-12-18(17)26-22(19)14-7-2-1-3-8-14/h1-13,19-20,22-23,25H.
What are the key properties of 3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol?
3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol has a molecular weight of 342.40 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-3-yl)phenol is sourced from PubChem (CID 127049643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).