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

C10H10O3 — CID 2723665

IUPAC3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccccc2O1
InChIInChI=1S/C10H10O3/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2,(H,11,12)
InChIKeySFLFCQJQOIZMHF-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.46
Rot. Bonds1

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

3,4-dihydro-2H-chromene-2-carboxylic acid (PubChem CID 2723665) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-2-carboxylic acid
PubChem CID2723665
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccccc2O1
InChIInChI=1S/C10H10O3/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2,(H,11,12)
InChIKeySFLFCQJQOIZMHF-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene-2-carboxylic acid?
The IUPAC name of 3,4-dihydro-2H-chromene-2-carboxylic acid (CID 2723665) is 3,4-dihydro-2H-chromene-2-carboxylic acid.
What is the SMILES notation for 3,4-dihydro-2H-chromene-2-carboxylic acid?
The canonical SMILES for 3,4-dihydro-2H-chromene-2-carboxylic acid is O=C(O)C1CCc2ccccc2O1.
What is the InChIKey of 3,4-dihydro-2H-chromene-2-carboxylic acid?
The InChIKey is SFLFCQJQOIZMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2,(H,11,12).
What are the key properties of 3,4-dihydro-2H-chromene-2-carboxylic acid?
3,4-dihydro-2H-chromene-2-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene-2-carboxylic acid is sourced from PubChem (CID 2723665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).