(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one

C19H20O6 — CID 11078443

IUPAC(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc(OC)c2c(c1)O[C@H](c1cc(OC)ccc1OC)CC2=O
InChIInChI=1S/C19H20O6/c1-21-11-5-6-15(23-3)13(7-11)16-10-14(20)19-17(24-4)8-12(22-2)9-18(19)25-16/h5-9,16H,10H2,1-4H3/t16-/m0/s1
InChIKeyBFELDCJBLWBIBJ-INIZCTEOSA-N
MW344.36 g/mol
LogP3.43
Rot. Bonds5

About (2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one

(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one (PubChem CID 11078443) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
PubChem CID11078443
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc(OC)c2c(c1)O[C@H](c1cc(OC)ccc1OC)CC2=O
InChIInChI=1S/C19H20O6/c1-21-11-5-6-15(23-3)13(7-11)16-10-14(20)19-17(24-4)8-12(22-2)9-18(19)25-16/h5-9,16H,10H2,1-4H3/t16-/m0/s1
InChIKeyBFELDCJBLWBIBJ-INIZCTEOSA-N
XLogP3.43
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-8-[5-[(2S)-5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163039099
(2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10336604
(2S)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-8-methyl-2,3-dihydrochromen-4-one
CID 163105544
2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 85087212
2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one
CID 12020300
5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one
CID 14332451
2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one
CID 44608053
(2R)-2-[4-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 163068106
7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one
CID 59873237
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064
2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide
CID 21435235
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one (CID 11078443) is (2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one is COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)ccc1OC)CC2=O.
What is the InChIKey of (2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one?
The InChIKey is BFELDCJBLWBIBJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20O6/c1-21-11-5-6-15(23-3)13(7-11)16-10-14(20)19-17(24-4)8-12(22-2)9-18(19)25-16/h5-9,16H,10H2,1-4H3/t16-/m0/s1.
What are the key properties of (2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one?
(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one has a molecular weight of 344.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 11078443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).