(7-methoxy-2H-chromen-3-yl) hydrogen carbonate

C11H10O5 — CID 70423170

IUPAC(7-methoxy-2H-chromen-3-yl) hydrogen carbonate
SMILESCOc1ccc2c(c1)OCC(OC(=O)O)=C2
InChIInChI=1S/C11H10O5/c1-14-8-3-2-7-4-9(16-11(12)13)6-15-10(7)5-8/h2-5H,6H2,1H3,(H,12,13)
InChIKeyXAXZFIUGDHAPEJ-UHFFFAOYSA-N
MW222.20 g/mol
LogP2.12
Rot. Bonds2

About (7-methoxy-2H-chromen-3-yl) hydrogen carbonate

(7-methoxy-2H-chromen-3-yl) hydrogen carbonate (PubChem CID 70423170) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is (7-methoxy-2H-chromen-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(7-methoxy-2H-chromen-3-yl) hydrogen carbonate
PubChem CID70423170
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name(7-methoxy-2H-chromen-3-yl) hydrogen carbonate
SMILESCOc1ccc2c(c1)OCC(OC(=O)O)=C2
InChIInChI=1S/C11H10O5/c1-14-8-3-2-7-4-9(16-11(12)13)6-15-10(7)5-8/h2-5H,6H2,1H3,(H,12,13)
InChIKeyXAXZFIUGDHAPEJ-UHFFFAOYSA-N
XLogP2.12
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-3-(4-methoxyphenyl)-2H-chromene
CID 58678829
8-methoxy-2,3-dihydro-1-benzoxepine-4-carbonyl chloride
CID 23045009
3-(4-ethoxyphenyl)-7-methoxy-2H-chromene
CID 54751719
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
(2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 124673363
6-methoxy-1-benzofuran-3-one
CID 585368
(7-methoxy-2H-chromen-3-yl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 86952966
N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide
CID 86878702
(5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17479121
N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide
CID 91451229
N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide
CID 86903483
(4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one
CID 24604452

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2H-chromen-3-yl) hydrogen carbonate?
The IUPAC name of (7-methoxy-2H-chromen-3-yl) hydrogen carbonate (CID 70423170) is (7-methoxy-2H-chromen-3-yl) hydrogen carbonate.
What is the SMILES notation for (7-methoxy-2H-chromen-3-yl) hydrogen carbonate?
The canonical SMILES for (7-methoxy-2H-chromen-3-yl) hydrogen carbonate is COc1ccc2c(c1)OCC(OC(=O)O)=C2.
What is the InChIKey of (7-methoxy-2H-chromen-3-yl) hydrogen carbonate?
The InChIKey is XAXZFIUGDHAPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-14-8-3-2-7-4-9(16-11(12)13)6-15-10(7)5-8/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of (7-methoxy-2H-chromen-3-yl) hydrogen carbonate?
(7-methoxy-2H-chromen-3-yl) hydrogen carbonate has a molecular weight of 222.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2H-chromen-3-yl) hydrogen carbonate is sourced from PubChem (CID 70423170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).