[2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate

C17H12O6 — CID 67869250

IUPAC[2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate
SMILESCOc1ccccc1-c1oc2ccccc2c(=O)c1OC(=O)O
InChIInChI=1S/C17H12O6/c1-21-12-8-4-3-7-11(12)15-16(23-17(19)20)14(18)10-6-2-5-9-13(10)22-15/h2-9H,1H3,(H,19,20)
InChIKeyPZDFQURHWOAUMZ-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.53
Rot. Bonds3

About [2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate

[2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate (PubChem CID 67869250) has the molecular formula C17H12O6 and a molecular weight of 312.28 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate
PubChem CID67869250
Molecular FormulaC17H12O6
Molecular Weight312.28 g/mol
Exact Mass312.06
IUPAC Name[2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate
SMILESCOc1ccccc1-c1oc2ccccc2c(=O)c1OC(=O)O
InChIInChI=1S/C17H12O6/c1-21-12-8-4-3-7-11(12)15-16(23-17(19)20)14(18)10-6-2-5-9-13(10)22-15/h2-9H,1H3,(H,19,20)
InChIKeyPZDFQURHWOAUMZ-UHFFFAOYSA-N
XLogP3.53
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676169
2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 20983860
[2-acetyloxy-3-(3-acetyloxy-4-oxochromen-2-yl)phenyl] acetate
CID 134303208
ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate
CID 139291625
(5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate
CID 70411870
6-[2-(2,3-dimethoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 154700123
3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
CID 71733634
(4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate
CID 2752530
3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 175305896
2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one
CID 140540725
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one
CID 71735018

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate?
The IUPAC name of [2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate (CID 67869250) is [2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate.
What is the SMILES notation for [2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate?
The canonical SMILES for [2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate is COc1ccccc1-c1oc2ccccc2c(=O)c1OC(=O)O.
What is the InChIKey of [2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate?
The InChIKey is PZDFQURHWOAUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O6/c1-21-12-8-4-3-7-11(12)15-16(23-17(19)20)14(18)10-6-2-5-9-13(10)22-15/h2-9H,1H3,(H,19,20).
What are the key properties of [2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate?
[2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate has a molecular weight of 312.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate is sourced from PubChem (CID 67869250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).