3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one

C20H21O5P — CID 164597648

IUPAC3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one
SMILESCOc1c(O)ccc2c(=O)c(O)c(-c3ccc(CCCCP)cc3)oc12
InChIInChI=1S/C20H21O5P/c1-24-20-15(21)10-9-14-16(22)17(23)18(25-19(14)20)13-7-5-12(6-8-13)4-2-3-11-26/h5-10,21,23H,2-4,11,26H2,1H3
InChIKeyWNQZKUGQUQFXBL-UHFFFAOYSA-N
MW372.36 g/mol
LogP4.08
Rot. Bonds6

About 3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one

3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one (PubChem CID 164597648) has the molecular formula C20H21O5P and a molecular weight of 372.36 g/mol. Its IUPAC name is 3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one.

Molecular Properties

Compound Name3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one
PubChem CID164597648
Molecular FormulaC20H21O5P
Molecular Weight372.36 g/mol
Exact Mass372.11
IUPAC Name3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one
SMILESCOc1c(O)ccc2c(=O)c(O)c(-c3ccc(CCCCP)cc3)oc12
InChIInChI=1S/C20H21O5P/c1-24-20-15(21)10-9-14-16(22)17(23)18(25-19(14)20)13-7-5-12(6-8-13)4-2-3-11-26/h5-10,21,23H,2-4,11,26H2,1H3
InChIKeyWNQZKUGQUQFXBL-UHFFFAOYSA-N
XLogP4.08
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3,7-dihydroxy-8-methoxy-2-[4-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]butyl]phenyl]chromen-4-one
CID 164861216
2-[4-[[3-(4-aminobutylamino)propylamino]methyl]phenyl]-3,7-dihydroxy-8-methoxychromen-4-one
CID 164861194
2-[4-[4-(3-aminopropylamino)butyl-methylamino]phenyl]-3,7-dihydroxy-8-methoxychromen-4-one
CID 164861345
2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one
CID 18372853
2-[4-[4-[2-(1-benzylpiperidin-4-yl)ethyl-methylamino]butyl-methylamino]phenyl]-3,7-dihydroxy-8-methoxychromen-4-one
CID 164861320
3,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;hydrate
CID 121233655
4-[4-(7-hydroxy-8-methoxy-4-oxochromen-3-yl)phenyl]butyl-triphenylphosphanium bromide
CID 174174968
3,7-dihydroxy-8-methyl-2-phenylchromen-4-one
CID 178063464
3-hydroxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
CID 850149
3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one
CID 13270924
3,7,8-trihydroxy-2-[4-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]phenyl]chromen-4-one
CID 164861209
7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 123768605

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one?
The IUPAC name of 3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one (CID 164597648) is 3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one.
What is the SMILES notation for 3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one?
The canonical SMILES for 3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one is COc1c(O)ccc2c(=O)c(O)c(-c3ccc(CCCCP)cc3)oc12.
What is the InChIKey of 3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one?
The InChIKey is WNQZKUGQUQFXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21O5P/c1-24-20-15(21)10-9-14-16(22)17(23)18(25-19(14)20)13-7-5-12(6-8-13)4-2-3-11-26/h5-10,21,23H,2-4,11,26H2,1H3.
What are the key properties of 3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one?
3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one has a molecular weight of 372.36 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydroxy-8-methoxy-2-[4-(4-phosphanylbutyl)phenyl]chromen-4-one is sourced from PubChem (CID 164597648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).