4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid

C11H12O4 — CID 170900351

IUPAC4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1C(O)CCO2
InChIInChI=1S/C11H12O4/c1-6-7(11(13)14)2-3-9-10(6)8(12)4-5-15-9/h2-3,8,12H,4-5H2,1H3,(H,13,14)
InChIKeyJQUYFQCJJNOYEY-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.51
Rot. Bonds1

About 4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid

4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid (PubChem CID 170900351) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid
PubChem CID170900351
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1C(O)CCO2
InChIInChI=1S/C11H12O4/c1-6-7(11(13)14)2-3-9-10(6)8(12)4-5-15-9/h2-3,8,12H,4-5H2,1H3,(H,13,14)
InChIKeyJQUYFQCJJNOYEY-UHFFFAOYSA-N
XLogP1.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid
CID 171252203
2,3-dimethylterephthalic acid
CID 158313107
(2'S)-2'-hydroxy-5-methylspiro[2H-1,4-benzodioxine-3,1'-cyclopropane]-6-carboxylic acid
CID 163497632
4-benzoyl-3-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 19368233
6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene
CID 130951420
cyclohexanol;2-methylbenzene-1,3-dicarboxylic acid
CID 174867146
(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 107287207
6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol
CID 130792885
2-cyclobutyl-3,4-dimethylbenzoic acid
CID 142717985
4-[2-(4-carboxy-2,3-dimethylbenzoyl)benzoyl]-2,3-dimethylbenzoic acid
CID 141342382
bicyclo[1.1.0]butane;2-methylbenzene-1,3-dicarboxylic acid
CID 174778770
2-methyl-3,4-diphenylbenzoic acid
CID 118554966

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid?
The IUPAC name of 4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid (CID 170900351) is 4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid?
The canonical SMILES for 4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid is Cc1c(C(=O)O)ccc2c1C(O)CCO2.
What is the InChIKey of 4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid?
The InChIKey is JQUYFQCJJNOYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-6-7(11(13)14)2-3-9-10(6)8(12)4-5-15-9/h2-3,8,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid?
4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid is sourced from PubChem (CID 170900351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).