1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid

C11H10O4 — CID 141055750

IUPAC1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid
SMILESO=C(O)C1(O)C2COc3ccccc3C21
InChIInChI=1S/C11H10O4/c12-10(13)11(14)7-5-15-8-4-2-1-3-6(8)9(7)11/h1-4,7,9,14H,5H2,(H,12,13)
InChIKeyXEGSZMYLJOUOHV-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.61
Rot. Bonds1

About 1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid

1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid (PubChem CID 141055750) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid
PubChem CID141055750
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid
SMILESO=C(O)C1(O)C2COc3ccccc3C21
InChIInChI=1S/C11H10O4/c12-10(13)11(14)7-5-15-8-4-2-1-3-6(8)9(7)11/h1-4,7,9,14H,5H2,(H,12,13)
InChIKeyXEGSZMYLJOUOHV-UHFFFAOYSA-N
XLogP0.61
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 124636976
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CID 174352835
2,3-dihydro-1-benzofuran-3-ol
CID 585896
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone
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2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid
CID 64892065
4-(2,3-dihydro-1-benzofuran-3-yl)-2-methylbutanoic acid
CID 81008371
3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 79229573
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid
CID 104524822

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid?
The IUPAC name of 1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid (CID 141055750) is 1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid is O=C(O)C1(O)C2COc3ccccc3C21.
What is the InChIKey of 1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid?
The InChIKey is XEGSZMYLJOUOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-10(13)11(14)7-5-15-8-4-2-1-3-6(8)9(7)11/h1-4,7,9,14H,5H2,(H,12,13).
What are the key properties of 1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid?
1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,7b-dihydro-1aH-cyclopropa[c]chromene-1-carboxylic acid is sourced from PubChem (CID 141055750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).