5-chloro-4-methyl-2H-chromene-3-carboxylic acid

C11H9ClO3 — CID 84725566

IUPAC5-chloro-4-methyl-2H-chromene-3-carboxylic acid
SMILESCC1=C(C(=O)O)COc2cccc(Cl)c21
InChIInChI=1S/C11H9ClO3/c1-6-7(11(13)14)5-15-9-4-2-3-8(12)10(6)9/h2-4H,5H2,1H3,(H,13,14)
InChIKeyKEGYPUWYKKXTKX-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.59
Rot. Bonds1

About 5-chloro-4-methyl-2H-chromene-3-carboxylic acid

5-chloro-4-methyl-2H-chromene-3-carboxylic acid (PubChem CID 84725566) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is 5-chloro-4-methyl-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-methyl-2H-chromene-3-carboxylic acid
PubChem CID84725566
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name5-chloro-4-methyl-2H-chromene-3-carboxylic acid
SMILESCC1=C(C(=O)O)COc2cccc(Cl)c21
InChIInChI=1S/C11H9ClO3/c1-6-7(11(13)14)5-15-9-4-2-3-8(12)10(6)9/h2-4H,5H2,1H3,(H,13,14)
InChIKeyKEGYPUWYKKXTKX-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(azepan-1-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
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8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene
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1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid
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(3S)-5-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 96778514
CID 11251659
CID 11251659
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2H-chromene-3-carboxylic acid?
The IUPAC name of 5-chloro-4-methyl-2H-chromene-3-carboxylic acid (CID 84725566) is 5-chloro-4-methyl-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 5-chloro-4-methyl-2H-chromene-3-carboxylic acid?
The canonical SMILES for 5-chloro-4-methyl-2H-chromene-3-carboxylic acid is CC1=C(C(=O)O)COc2cccc(Cl)c21.
What is the InChIKey of 5-chloro-4-methyl-2H-chromene-3-carboxylic acid?
The InChIKey is KEGYPUWYKKXTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-6-7(11(13)14)5-15-9-4-2-3-8(12)10(6)9/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 5-chloro-4-methyl-2H-chromene-3-carboxylic acid?
5-chloro-4-methyl-2H-chromene-3-carboxylic acid has a molecular weight of 224.64 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 84725566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).