7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one

C21H20O5 — CID 101450486

IUPAC7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one
SMILESCOc1cc(O)c(-c2cc(=O)c3ccc(O)cc3o2)cc1CC=C(C)C
InChIInChI=1S/C21H20O5/c1-12(2)4-5-13-8-16(18(24)10-19(13)25-3)21-11-17(23)15-7-6-14(22)9-20(15)26-21/h4,6-11,22,24H,5H2,1-3H3
InChIKeyUIHKSPWMEIMOOJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.39
Rot. Bonds4

About 7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one

7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one (PubChem CID 101450486) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one
PubChem CID101450486
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one
SMILESCOc1cc(O)c(-c2cc(=O)c3ccc(O)cc3o2)cc1CC=C(C)C
InChIInChI=1S/C21H20O5/c1-12(2)4-5-13-8-16(18(24)10-19(13)25-3)21-11-17(23)15-7-6-14(22)9-20(15)26-21/h4,6-11,22,24H,5H2,1-3H3
InChIKeyUIHKSPWMEIMOOJ-UHFFFAOYSA-N
XLogP4.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one
CID 127031650
3-hydroxy-9-methoxy-10-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
CID 46210318
4-methoxy-3-(3-methylbut-2-enyl)phenol
CID 101027686
5,7-dihydroxy-2-[3-hydroxy-4-methoxy-2-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
CID 21147603
7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
CID 11349817
2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
CID 90300754
5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-3-(3-methylbut-2-enyl)chromen-4-one
CID 162859073
1,3,6-trihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one
CID 26250237
6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 102208348
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one
CID 139217483
9-tert-butyl-6-hydroxyxanthen-3-one
CID 59334151

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one?
The IUPAC name of 7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one (CID 101450486) is 7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one?
The canonical SMILES for 7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one is COc1cc(O)c(-c2cc(=O)c3ccc(O)cc3o2)cc1CC=C(C)C.
What is the InChIKey of 7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one?
The InChIKey is UIHKSPWMEIMOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-12(2)4-5-13-8-16(18(24)10-19(13)25-3)21-11-17(23)15-7-6-14(22)9-20(15)26-21/h4,6-11,22,24H,5H2,1-3H3.
What are the key properties of 7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one?
7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one has a molecular weight of 352.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one is sourced from PubChem (CID 101450486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).