(4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one

C19H20O6 — CID 6540077

IUPAC(4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCOc1ccccc1[C@@H]1CC(=O)Oc2cc(OC)c(OC)c(OC)c21
InChIInChI=1S/C19H20O6/c1-21-13-8-6-5-7-11(13)12-9-16(20)25-14-10-15(22-2)18(23-3)19(24-4)17(12)14/h5-8,10,12H,9H2,1-4H3/t12-/m0/s1
InChIKeyHCAAUFRAGZBANF-LBPRGKRZSA-N
MW344.36 g/mol
LogP3.16
Rot. Bonds5

About (4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one

(4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one (PubChem CID 6540077) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is (4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one
PubChem CID6540077
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCOc1ccccc1[C@@H]1CC(=O)Oc2cc(OC)c(OC)c(OC)c21
InChIInChI=1S/C19H20O6/c1-21-13-8-6-5-7-11(13)12-9-16(20)25-14-10-15(22-2)18(23-3)19(24-4)17(12)14/h5-8,10,12H,9H2,1-4H3/t12-/m0/s1
InChIKeyHCAAUFRAGZBANF-LBPRGKRZSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one
CID 102564866
(10R)-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97046015
(10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424502
(4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one
CID 99998264
5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one
CID 102564922
(4S,12E)-22-methoxy-20-(2-methoxyphenyl)-4-methyl-3,17-dioxatricyclo[12.8.0.016,21]docosa-1(22),12,14,16(21)-tetraene-2,8,18-trione
CID 71754432
(10S)-5-hydroxy-10-(2-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 96544551
(2Z,9S)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99997753
(4S)-5,7-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540112
(10S)-5-methoxy-2-phenyl-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97425608
6-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
CID 15419594
(2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99996616

Frequently Asked Questions

What is the IUPAC name of (4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one?
The IUPAC name of (4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one (CID 6540077) is (4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one?
The canonical SMILES for (4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one is COc1ccccc1[C@@H]1CC(=O)Oc2cc(OC)c(OC)c(OC)c21.
What is the InChIKey of (4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one?
The InChIKey is HCAAUFRAGZBANF-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20O6/c1-21-13-8-6-5-7-11(13)12-9-16(20)25-14-10-15(22-2)18(23-3)19(24-4)17(12)14/h5-8,10,12H,9H2,1-4H3/t12-/m0/s1.
What are the key properties of (4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one?
(4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one has a molecular weight of 344.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 6540077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).