(2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one

C19H20O5 — CID 162807777

IUPAC(2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOCc1c(OC)cc(OC)c2c1O[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C19H20O5/c1-21-11-13-16(22-2)10-17(23-3)18-14(20)9-15(24-19(13)18)12-7-5-4-6-8-12/h4-8,10,15H,9,11H2,1-3H3/t15-/m0/s1
InChIKeyFIQXXBDHOGNFHK-HNNXBMFYSA-N
MW328.36 g/mol
LogP3.56
Rot. Bonds5

About (2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one

(2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 162807777) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID162807777
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOCc1c(OC)cc(OC)c2c1O[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C19H20O5/c1-21-11-13-16(22-2)10-17(23-3)18-14(20)9-15(24-19(13)18)12-7-5-4-6-8-12/h4-8,10,15H,9,11H2,1-3H3/t15-/m0/s1
InChIKeyFIQXXBDHOGNFHK-HNNXBMFYSA-N
XLogP3.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5R,13R)-9-methoxy-4,4-dimethyl-13-phenyl-6,14-dioxatetracyclo[8.4.0.02,7.03,5]tetradeca-1,7,9-trien-11-one
CID 98050771
(2S)-8-[(Z,3R)-3-hydroxybut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 132987788
[(2S)-5-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] acetate
CID 6575957
6,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 24978119
(2S)-8-[(dimethylamino)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 3075480
(2S)-2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-2,3-dihydrochromen-4-one
CID 163028727
8-(cyclopropylmethyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 175366050
5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 12041830
(2R)-5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 162922021
7,8-dimethoxy-2-phenyl-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 137333799
2-(4-bromophenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 166172034
(2S)-5,7-dihydroxy-6-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 15895373

Frequently Asked Questions

What is the IUPAC name of (2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one (CID 162807777) is (2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one is COCc1c(OC)cc(OC)c2c1O[C@H](c1ccccc1)CC2=O.
What is the InChIKey of (2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is FIQXXBDHOGNFHK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20O5/c1-21-11-13-16(22-2)10-17(23-3)18-14(20)9-15(24-19(13)18)12-7-5-4-6-8-12/h4-8,10,15H,9,11H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one?
(2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 328.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162807777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).