2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one

C30H34O7 — CID 15478905

IUPAC2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one
SMILESC=C(C)C(O)Cc1c(O)c(CC=C(C)C)c(O)c2c(=O)c(CC=C(C)C)c(-c3ccc(O)cc3O)oc12
InChIInChI=1S/C30H34O7/c1-15(2)7-10-20-26(34)22(14-23(32)17(5)6)30-25(27(20)35)28(36)21(11-8-16(3)4)29(37-30)19-12-9-18(31)13-24(19)33/h7-9,12-13,23,31-35H,5,10-11,14H2,1-4,6H3
InChIKeyPSGBQWWFQHLENG-UHFFFAOYSA-N
MW506.60 g/mol
LogP5.78
Rot. Bonds8

About 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one (PubChem CID 15478905) has the molecular formula C30H34O7 and a molecular weight of 506.60 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one
PubChem CID15478905
Molecular FormulaC30H34O7
Molecular Weight506.60 g/mol
Exact Mass506.23
IUPAC Name2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one
SMILESC=C(C)C(O)Cc1c(O)c(CC=C(C)C)c(O)c2c(=O)c(CC=C(C)C)c(-c3ccc(O)cc3O)oc12
InChIInChI=1S/C30H34O7/c1-15(2)7-10-20-26(34)22(14-23(32)17(5)6)30-25(27(20)35)28(36)21(11-8-16(3)4)29(37-30)19-12-9-18(31)13-24(19)33/h7-9,12-13,23,31-35H,5,10-11,14H2,1-4,6H3
InChIKeyPSGBQWWFQHLENG-UHFFFAOYSA-N
XLogP5.78
TPSA131.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 55.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one (CID 15478905) is 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one is C=C(C)C(O)Cc1c(O)c(CC=C(C)C)c(O)c2c(=O)c(CC=C(C)C)c(-c3ccc(O)cc3O)oc12.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one?
The InChIKey is PSGBQWWFQHLENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O7/c1-15(2)7-10-20-26(34)22(14-23(32)17(5)6)30-25(27(20)35)28(36)21(11-8-16(3)4)29(37-30)19-12-9-18(31)13-24(19)33/h7-9,12-13,23,31-35H,5,10-11,14H2,1-4,6H3.
What are the key properties of 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one?
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one has a molecular weight of 506.60 g/mol, XLogP of 5.78, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one is sourced from PubChem (CID 15478905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).