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

C10H9ClO3 — CID 72698890

IUPAC7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1COc2cc(Cl)ccc2C1
InChIInChI=1S/C10H9ClO3/c11-8-2-1-6-3-7(10(12)13)5-14-9(6)4-8/h1-2,4,7H,3,5H2,(H,12,13)
InChIKeyVVBVGCQHZSOTOQ-UHFFFAOYSA-N
MW212.63 g/mol
LogP1.98
Rot. Bonds1

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

7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 72698890) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID72698890
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1COc2cc(Cl)ccc2C1
InChIInChI=1S/C10H9ClO3/c11-8-2-1-6-3-7(10(12)13)5-14-9(6)4-8/h1-2,4,7H,3,5H2,(H,12,13)
InChIKeyVVBVGCQHZSOTOQ-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 72698890) is 7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid is O=C(O)C1COc2cc(Cl)ccc2C1.
What is the InChIKey of 7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is VVBVGCQHZSOTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c11-8-2-1-6-3-7(10(12)13)5-14-9(6)4-8/h1-2,4,7H,3,5H2,(H,12,13).
What are the key properties of 7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid?
7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 212.63 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 72698890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).