(5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone

C23H24O5 — CID 10523817

IUPAC(5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone
SMILESCC(C)=CCc1c(O)cccc1C(=O)c1c(O)cc(O)c2c1OC(C)(C)C=C2
InChIInChI=1S/C23H24O5/c1-13(2)8-9-14-15(6-5-7-17(14)24)21(27)20-19(26)12-18(25)16-10-11-23(3,4)28-22(16)20/h5-8,10-12,24-26H,9H2,1-4H3
InChIKeySUXKBSUPVSIJAI-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.73
Rot. Bonds4

About (5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone

(5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone (PubChem CID 10523817) has the molecular formula C23H24O5 and a molecular weight of 380.44 g/mol. Its IUPAC name is (5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone.

Molecular Properties

Compound Name(5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone
PubChem CID10523817
Molecular FormulaC23H24O5
Molecular Weight380.44 g/mol
Exact Mass380.16
IUPAC Name(5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone
SMILESCC(C)=CCc1c(O)cccc1C(=O)c1c(O)cc(O)c2c1OC(C)(C)C=C2
InChIInChI=1S/C23H24O5/c1-13(2)8-9-14-15(6-5-7-17(14)24)21(27)20-19(26)12-18(25)16-10-11-23(3,4)28-22(16)20/h5-8,10-12,24-26H,9H2,1-4H3
InChIKeySUXKBSUPVSIJAI-UHFFFAOYSA-N
XLogP4.73
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 (5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone?
The IUPAC name of (5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone (CID 10523817) is (5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone.
What is the SMILES notation for (5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone?
The canonical SMILES for (5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone is CC(C)=CCc1c(O)cccc1C(=O)c1c(O)cc(O)c2c1OC(C)(C)C=C2.
What is the InChIKey of (5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone?
The InChIKey is SUXKBSUPVSIJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O5/c1-13(2)8-9-14-15(6-5-7-17(14)24)21(27)20-19(26)12-18(25)16-10-11-23(3,4)28-22(16)20/h5-8,10-12,24-26H,9H2,1-4H3.
What are the key properties of (5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone?
(5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone has a molecular weight of 380.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone is sourced from PubChem (CID 10523817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).