7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid

C10H10O4 — CID 18005850

IUPAC7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccc(O)cc2O1
InChIInChI=1S/C10H10O4/c11-7-3-1-6-2-4-8(10(12)13)14-9(6)5-7/h1,3,5,8,11H,2,4H2,(H,12,13)
InChIKeyNONJZGQBLPTNTD-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.17
Rot. Bonds1

About 7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid

7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid (PubChem CID 18005850) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
PubChem CID18005850
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccc(O)cc2O1
InChIInChI=1S/C10H10O4/c11-7-3-1-6-2-4-8(10(12)13)14-9(6)5-7/h1,3,5,8,11H,2,4H2,(H,12,13)
InChIKeyNONJZGQBLPTNTD-UHFFFAOYSA-N
XLogP1.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-Hydroxyphenyl)-3,4-Dihydro-2H-Chromene-3,5,7-Triol
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Peucedanone
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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid?
The IUPAC name of 7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid (CID 18005850) is 7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid.
What is the SMILES notation for 7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid?
The canonical SMILES for 7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid is O=C(O)C1CCc2ccc(O)cc2O1.
What is the InChIKey of 7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid?
The InChIKey is NONJZGQBLPTNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-7-3-1-6-2-4-8(10(12)13)14-9(6)5-7/h1,3,5,8,11H,2,4H2,(H,12,13).
What are the key properties of 7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid?
7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid is sourced from PubChem (CID 18005850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).