(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

C17H16O6 — CID 16655803

IUPAC(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)O[C@H](c1cc(O)c(OC)c(O)c1)CC2=O
InChIInChI=1S/C17H16O6/c1-21-10-3-4-11-12(18)8-15(23-16(11)7-10)9-5-13(19)17(22-2)14(20)6-9/h3-7,15,19-20H,8H2,1-2H3/t15-/m0/s1
InChIKeyXJIKWTHIVSKZKY-HNNXBMFYSA-N
MW316.31 g/mol
LogP2.82
Rot. Bonds3

About (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 16655803) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID16655803
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)O[C@H](c1cc(O)c(OC)c(O)c1)CC2=O
InChIInChI=1S/C17H16O6/c1-21-10-3-4-11-12(18)8-15(23-16(11)7-10)9-5-13(19)17(22-2)14(20)6-9/h3-7,15,19-20H,8H2,1-2H3/t15-/m0/s1
InChIKeyXJIKWTHIVSKZKY-HNNXBMFYSA-N
XLogP2.82
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672632
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788463
2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788462
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
(2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 102145698
7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114674776

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one (CID 16655803) is (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)O[C@H](c1cc(O)c(OC)c(O)c1)CC2=O.
What is the InChIKey of (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is XJIKWTHIVSKZKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16O6/c1-21-10-3-4-11-12(18)8-15(23-16(11)7-10)9-5-13(19)17(22-2)14(20)6-9/h3-7,15,19-20H,8H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 316.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 16655803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).