5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one

C43H44O14 — CID 24887162

IUPAC5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one
SMILESCOCOc1cc(O)c2c(c1)CC(c1ccc(OCCOCCOCCOCCOc3ccc(-c4cc(=O)c5c(O)cc(OCOC)cc5o4)cc3)cc1)=CC2=O
InChIInChI=1S/C43H44O14/c1-48-26-55-34-20-31-19-30(21-36(44)42(31)37(45)22-34)28-3-7-32(8-4-28)53-17-15-51-13-11-50-12-14-52-16-18-54-33-9-5-29(6-10-33)40-25-39(47)43-38(46)23-35(56-27-49-2)24-41(43)57-40/h3-10,20-25,45-46H,11-19,26-27H2,1-2H3
InChIKeyUXGQCPCWBDNUFW-UHFFFAOYSA-N
MW784.81 g/mol
LogP6.17
Rot. Bonds22

About 5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one

5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one (PubChem CID 24887162) has the molecular formula C43H44O14 and a molecular weight of 784.81 g/mol. Its IUPAC name is 5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one
PubChem CID24887162
Molecular FormulaC43H44O14
Molecular Weight784.81 g/mol
Exact Mass784.27
IUPAC Name5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one
SMILESCOCOc1cc(O)c2c(c1)CC(c1ccc(OCCOCCOCCOCCOc3ccc(-c4cc(=O)c5c(O)cc(OCOC)cc5o4)cc3)cc1)=CC2=O
InChIInChI=1S/C43H44O14/c1-48-26-55-34-20-31-19-30(21-36(44)42(31)37(45)22-34)28-3-7-32(8-4-28)53-17-15-51-13-11-50-12-14-52-16-18-54-33-9-5-29(6-10-33)40-25-39(47)43-38(46)23-35(56-27-49-2)24-41(43)57-40/h3-10,20-25,45-46H,11-19,26-27H2,1-2H3
InChIKeyUXGQCPCWBDNUFW-UHFFFAOYSA-N
XLogP6.17
TPSA170.81 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500784.81
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_D(1)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one with MolForge

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Related Compounds

7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297
5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one
CID 86582075
2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one
CID 59152476
5-hydroxy-7-(3-methylbut-2-enoxy)-2-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
CID 131859007
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
CID 177372719
8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
CID 162668963
8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
CID 159103073
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one
CID 22376440
sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate
CID 177001497

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one?
The IUPAC name of 5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one (CID 24887162) is 5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one.
What is the SMILES notation for 5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one?
The canonical SMILES for 5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one is COCOc1cc(O)c2c(c1)CC(c1ccc(OCCOCCOCCOCCOc3ccc(-c4cc(=O)c5c(O)cc(OCOC)cc5o4)cc3)cc1)=CC2=O.
What is the InChIKey of 5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one?
The InChIKey is UXGQCPCWBDNUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44O14/c1-48-26-55-34-20-31-19-30(21-36(44)42(31)37(45)22-34)28-3-7-32(8-4-28)53-17-15-51-13-11-50-12-14-52-16-18-54-33-9-5-29(6-10-33)40-25-39(47)43-38(46)23-35(56-27-49-2)24-41(43)57-40/h3-10,20-25,45-46H,11-19,26-27H2,1-2H3.
What are the key properties of 5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one?
5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one has a molecular weight of 784.81 g/mol, XLogP of 6.17, 22 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one is sourced from PubChem (CID 24887162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).