7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one

C21H22O4 — CID 70072190

IUPAC7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one
SMILESCCCc1cc(-c2cc(=O)c3ccc(O)c(CCC)c3o2)ccc1O
InChIInChI=1S/C21H22O4/c1-3-5-13-11-14(7-9-17(13)22)20-12-19(24)16-8-10-18(23)15(6-4-2)21(16)25-20/h7-12,22-23H,3-6H2,1-2H3
InChIKeyBNXFANQMHQNYAS-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.78
Rot. Bonds5

About 7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one

7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one (PubChem CID 70072190) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is 7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one
PubChem CID70072190
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one
SMILESCCCc1cc(-c2cc(=O)c3ccc(O)c(CCC)c3o2)ccc1O
InChIInChI=1S/C21H22O4/c1-3-5-13-11-14(7-9-17(13)22)20-12-19(24)16-8-10-18(23)15(6-4-2)21(16)25-20/h7-12,22-23H,3-6H2,1-2H3
InChIKeyBNXFANQMHQNYAS-UHFFFAOYSA-N
XLogP4.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one?
The IUPAC name of 7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one (CID 70072190) is 7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one?
The canonical SMILES for 7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one is CCCc1cc(-c2cc(=O)c3ccc(O)c(CCC)c3o2)ccc1O.
What is the InChIKey of 7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one?
The InChIKey is BNXFANQMHQNYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c1-3-5-13-11-14(7-9-17(13)22)20-12-19(24)16-8-10-18(23)15(6-4-2)21(16)25-20/h7-12,22-23H,3-6H2,1-2H3.
What are the key properties of 7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one?
7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one has a molecular weight of 338.40 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one is sourced from PubChem (CID 70072190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).