2-methyl-2H-chromene-6-carboxylic acid

C11H10O3 — CID 22313323

IUPAC2-methyl-2H-chromene-6-carboxylic acid
SMILESCC1C=Cc2cc(C(=O)O)ccc2O1
InChIInChI=1S/C11H10O3/c1-7-2-3-8-6-9(11(12)13)4-5-10(8)14-7/h2-7H,1H3,(H,12,13)
InChIKeyVOIPWAIDVJMGKH-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.18
Rot. Bonds1

About 2-methyl-2H-chromene-6-carboxylic acid

2-methyl-2H-chromene-6-carboxylic acid (PubChem CID 22313323) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-methyl-2H-chromene-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2H-chromene-6-carboxylic acid
PubChem CID22313323
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2-methyl-2H-chromene-6-carboxylic acid
SMILESCC1C=Cc2cc(C(=O)O)ccc2O1
InChIInChI=1S/C11H10O3/c1-7-2-3-8-6-9(11(12)13)4-5-10(8)14-7/h2-7H,1H3,(H,12,13)
InChIKeyVOIPWAIDVJMGKH-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-2H-chromene-6-carboxylic acid
CID 174747813
2-methyl-1,3-benzodioxole-5-carboxylic acid
CID 15546141
2-fluoro-1,3-benzodioxole-5-carboxylic acid
CID 141403033
CID 158004129
CID 158004129
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
ethyl 2-methyl-2,3-dihydro-1-benzoxepine-7-carboxylate
CID 118096619
(2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid
CID 58407207
4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylic acid
CID 58407461
4-(2,3-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylic acid
CID 58407555
2-[(2-hydroxy-2H-chromen-6-yl)oxy]acetic acid
CID 134350417
4-(3,4-difluorophenyl)-2-methyl-2H-chromene-6-carboxylic acid
CID 58406680
2-amino-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid
CID 142117161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2H-chromene-6-carboxylic acid?
The IUPAC name of 2-methyl-2H-chromene-6-carboxylic acid (CID 22313323) is 2-methyl-2H-chromene-6-carboxylic acid.
What is the SMILES notation for 2-methyl-2H-chromene-6-carboxylic acid?
The canonical SMILES for 2-methyl-2H-chromene-6-carboxylic acid is CC1C=Cc2cc(C(=O)O)ccc2O1.
What is the InChIKey of 2-methyl-2H-chromene-6-carboxylic acid?
The InChIKey is VOIPWAIDVJMGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-2-3-8-6-9(11(12)13)4-5-10(8)14-7/h2-7H,1H3,(H,12,13).
What are the key properties of 2-methyl-2H-chromene-6-carboxylic acid?
2-methyl-2H-chromene-6-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2H-chromene-6-carboxylic acid is sourced from PubChem (CID 22313323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).