(2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one

C17H16O5 — CID 102062188

IUPAC(2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one
SMILESCOc1cc(O)c2c(c1C)O[C@](O)(c1ccccc1)CC2=O
InChIInChI=1S/C17H16O5/c1-10-14(21-2)8-12(18)15-13(19)9-17(20,22-16(10)15)11-6-4-3-5-7-11/h3-8,18,20H,9H2,1-2H3/t17-/m0/s1
InChIKeyGTJNJTZVMPKMRD-KRWDZBQOSA-N
MW300.31 g/mol
LogP2.52
Rot. Bonds2

About (2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one

(2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one (PubChem CID 102062188) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one.

Molecular Properties

Compound Name(2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one
PubChem CID102062188
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name(2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one
SMILESCOc1cc(O)c2c(c1C)O[C@](O)(c1ccccc1)CC2=O
InChIInChI=1S/C17H16O5/c1-10-14(21-2)8-12(18)15-13(19)9-17(20,22-16(10)15)11-6-4-3-5-7-11/h3-8,18,20H,9H2,1-2H3/t17-/m0/s1
InChIKeyGTJNJTZVMPKMRD-KRWDZBQOSA-N
XLogP2.52
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one
CID 101267190
2-chloro-5,7-dihydroxy-6,8-dimethyl-2-phenyl-3H-chromen-4-one
CID 174585226
(3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one
CID 91542886
2-(3,4-dihydroxyphenyl)-5-hydroxy-8-methoxy-2-phenyl-3H-chromene-4-thione
CID 139980079
1,4-dihydroxy-2-methoxy-6H-benzo[b][1]benzoxepin-5-one
CID 15512486
2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one
CID 161109582
8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione
CID 86060896
5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one
CID 172559489
2-benzyl-2-hydroxy-5,7-dimethoxy-3H-chromen-4-one
CID 10914018
1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 47082455
(6aS,12aS)-4,11,12a-trihydroxy-9-methoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one
CID 162977638
5-methoxy-2,2-dimethyl-3H-chromen-4-one
CID 11790374

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one?
The IUPAC name of (2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one (CID 102062188) is (2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one.
What is the SMILES notation for (2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one?
The canonical SMILES for (2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one is COc1cc(O)c2c(c1C)O[C@](O)(c1ccccc1)CC2=O.
What is the InChIKey of (2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one?
The InChIKey is GTJNJTZVMPKMRD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16O5/c1-10-14(21-2)8-12(18)15-13(19)9-17(20,22-16(10)15)11-6-4-3-5-7-11/h3-8,18,20H,9H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one?
(2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one has a molecular weight of 300.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one is sourced from PubChem (CID 102062188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).