6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid

C12H14O4 — CID 138473069

IUPAC6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid
SMILESCc1cc(O)cc2c1OC(C)(C(=O)O)CC2
InChIInChI=1S/C12H14O4/c1-7-5-9(13)6-8-3-4-12(2,11(14)15)16-10(7)8/h5-6,13H,3-4H2,1-2H3,(H,14,15)
InChIKeySJRDOSYEYKEZQU-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.87
Rot. Bonds1

About 6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid

6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid (PubChem CID 138473069) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid
PubChem CID138473069
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid
SMILESCc1cc(O)cc2c1OC(C)(C(=O)O)CC2
InChIInChI=1S/C12H14O4/c1-7-5-9(13)6-8-3-4-12(2,11(14)15)16-10(7)8/h5-6,13H,3-4H2,1-2H3,(H,14,15)
InChIKeySJRDOSYEYKEZQU-UHFFFAOYSA-N
XLogP1.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid
CID 150960927
(4E,8E)-11-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-4,8-dimethylundeca-4,8-dienoic acid
CID 164609879
6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene
CID 134936952
methyl 6-benzoyloxy-2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate
CID 23624577
(2-carboxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxidanium
CID 163585580
2,2,6-trimethyl-3,4-dihydrochromene-8-carboxylic acid
CID 171787688
9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol
CID 102149497
3-(2,8-dimethyl-6-sulfooxy-3,4-dihydrochromen-2-yl)propanoic acid
CID 172880023
1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone
CID 12529749
2,5-dimethyl-3H-1-benzofuran-2-carboxylic acid;ethane
CID 145338198
(2E,6E,10E)-13-(6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6,10-trimethyl-1-morpholin-4-yltrideca-2,6,10-trien-1-one
CID 126648142
ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate
CID 102113586

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid?
The IUPAC name of 6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid (CID 138473069) is 6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid is Cc1cc(O)cc2c1OC(C)(C(=O)O)CC2.
What is the InChIKey of 6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid?
The InChIKey is SJRDOSYEYKEZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-7-5-9(13)6-8-3-4-12(2,11(14)15)16-10(7)8/h5-6,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid?
6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid is sourced from PubChem (CID 138473069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).