(5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate

C19H16O8 — CID 70411870

IUPAC(5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate
SMILESCOc1cc2oc(-c3ccccc3)c(OC(=O)O)c(=O)c2c(OC)c1OC
InChIInChI=1S/C19H16O8/c1-23-12-9-11-13(17(25-3)16(12)24-2)14(20)18(27-19(21)22)15(26-11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,21,22)
InChIKeySFDTWGRQEVIYRF-UHFFFAOYSA-N
MW372.33 g/mol
LogP3.54
Rot. Bonds5

About (5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate

(5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate (PubChem CID 70411870) has the molecular formula C19H16O8 and a molecular weight of 372.33 g/mol. Its IUPAC name is (5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate
PubChem CID70411870
Molecular FormulaC19H16O8
Molecular Weight372.33 g/mol
Exact Mass372.08
IUPAC Name(5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate
SMILESCOc1cc2oc(-c3ccccc3)c(OC(=O)O)c(=O)c2c(OC)c1OC
InChIInChI=1S/C19H16O8/c1-23-12-9-11-13(17(25-3)16(12)24-2)14(20)18(27-19(21)22)15(26-11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,21,22)
InChIKeySFDTWGRQEVIYRF-UHFFFAOYSA-N
XLogP3.54
TPSA104.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate
CID 67869250
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
3,5-dimethoxy-7-(3-methyl-2-oxobut-3-enyl)-2-phenylchromen-4-one
CID 175316311
7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one
CID 5316815
3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
CID 528819
5,6,7-trimethoxy-4-methyl-3-phenylisochromen-1-one
CID 102581922
[4-(5-hydroxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] acetate
CID 124519226
3-iodo-6,7-dimethoxy-2-phenylchromen-4-one
CID 11718442
7-hydroxy-1,2,3-trimethoxyxanthen-9-one
CID 5320290
[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate
CID 46702115
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225

Frequently Asked Questions

What is the IUPAC name of (5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate?
The IUPAC name of (5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate (CID 70411870) is (5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate.
What is the SMILES notation for (5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate?
The canonical SMILES for (5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate is COc1cc2oc(-c3ccccc3)c(OC(=O)O)c(=O)c2c(OC)c1OC.
What is the InChIKey of (5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate?
The InChIKey is SFDTWGRQEVIYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O8/c1-23-12-9-11-13(17(25-3)16(12)24-2)14(20)18(27-19(21)22)15(26-11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,21,22).
What are the key properties of (5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate?
(5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate has a molecular weight of 372.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate is sourced from PubChem (CID 70411870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).