2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid

C11H12O4 — CID 94425211

IUPAC2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
SMILESO=C(O)C[C@@]1(O)CCOc2ccccc21
InChIInChI=1S/C11H12O4/c12-10(13)7-11(14)5-6-15-9-4-2-1-3-8(9)11/h1-4,14H,5-7H2,(H,12,13)/t11-/m0/s1
InChIKeyZFTBXFHLSSELGM-NSHDSACASA-N
MW208.21 g/mol
LogP1.13
Rot. Bonds2

About 2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid

2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid (PubChem CID 94425211) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
PubChem CID94425211
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
SMILESO=C(O)C[C@@]1(O)CCOc2ccccc21
InChIInChI=1S/C11H12O4/c12-10(13)7-11(14)5-6-15-9-4-2-1-3-8(9)11/h1-4,14H,5-7H2,(H,12,13)/t11-/m0/s1
InChIKeyZFTBXFHLSSELGM-NSHDSACASA-N
XLogP1.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid
CID 83763635
4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
CID 12914868
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid
CID 83818671
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977
4-hydroxy-2,3-dihydrochromene-4-carboxamide
CID 62224010
2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
CID 95984816
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 95984810
2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid
CID 154342529
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90535673

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid?
The IUPAC name of 2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid (CID 94425211) is 2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid?
The canonical SMILES for 2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid is O=C(O)C[C@@]1(O)CCOc2ccccc21.
What is the InChIKey of 2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid?
The InChIKey is ZFTBXFHLSSELGM-NSHDSACASA-N. The full InChI is InChI=1S/C11H12O4/c12-10(13)7-11(14)5-6-15-9-4-2-1-3-8(9)11/h1-4,14H,5-7H2,(H,12,13)/t11-/m0/s1.
What are the key properties of 2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid?
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid has a molecular weight of 208.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid is sourced from PubChem (CID 94425211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).