(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid

C14H18O4 — CID 688071

IUPAC(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)O)O2
InChIInChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)/t14-/m0/s1
InChIKeyGLEVLJDDWXEYCO-AWEZNQCLSA-N
MW250.29 g/mol
LogP2.49
Rot. Bonds1

About (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid

(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid (PubChem CID 688071) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
PubChem CID688071
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)O)O2
InChIInChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)/t14-/m0/s1
InChIKeyGLEVLJDDWXEYCO-AWEZNQCLSA-N
XLogP2.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-Tocopherol succinate
CID 20353
2,2,5,7,8-Pentamethyl-6-chromanol
CID 99479
Trolox
CID 40634
d-alpha-Tocopheryl acid succinate
CID 425400
2,7,8-Trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman
CID 133098
alpha-CEHC
CID 9943542
Alpha-tocopheryloxyacetic Acid
CID 9913401
2-Hydroxyethyl 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl butanedioate
CID 71406
5-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)-2-methyl-pentanoic acid
CID 45356845
11'-Carboxy-alpha-tocotrienol
CID 53481452
2-Hydroxyethyl (2R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl butanedioate
CID 9938056
Alpha-carboxyethylhydroxychroman
CID 12073949

Frequently Asked Questions

What is the IUPAC name of (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid?
The IUPAC name of (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid (CID 688071) is (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid.
What is the SMILES notation for (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid?
The canonical SMILES for (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid is Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)O)O2.
What is the InChIKey of (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid?
The InChIKey is GLEVLJDDWXEYCO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid?
(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid has a molecular weight of 250.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid is sourced from PubChem (CID 688071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).