7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one

C20H16N2O3 — CID 5408594

IUPAC7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCc1oc2c(C)c(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H16N2O3/c1-12-17(23)9-8-16-19(24)18(13(2)25-20(12)16)14-10-21-22(11-14)15-6-4-3-5-7-15/h3-11,23H,1-2H3
InChIKeyGHLWYUWNSCMSBF-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.97
Rot. Bonds2

About 7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one

7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one (PubChem CID 5408594) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
PubChem CID5408594
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCc1oc2c(C)c(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H16N2O3/c1-12-17(23)9-8-16-19(24)18(13(2)25-20(12)16)14-10-21-22(11-14)15-6-4-3-5-7-15/h3-11,23H,1-2H3
InChIKeyGHLWYUWNSCMSBF-UHFFFAOYSA-N
XLogP3.97
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one (CID 5408594) is 7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one is Cc1oc2c(C)c(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of 7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The InChIKey is GHLWYUWNSCMSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-12-17(23)9-8-16-19(24)18(13(2)25-20(12)16)14-10-21-22(11-14)15-6-4-3-5-7-15/h3-11,23H,1-2H3.
What are the key properties of 7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one has a molecular weight of 332.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)chromen-4-one is sourced from PubChem (CID 5408594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).