3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

C12H10O4 — CID 164598328

IUPAC3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESO=c1oc2cc(O)ccc2c2c1C(O)CC2
InChIInChI=1S/C12H10O4/c13-6-1-2-7-8-3-4-9(14)11(8)12(15)16-10(7)5-6/h1-2,5,9,13-14H,3-4H2
InChIKeyULABDFODPOVTSU-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.48
Rot. Bonds

About 3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 164598328) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID164598328
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESO=c1oc2cc(O)ccc2c2c1C(O)CC2
InChIInChI=1S/C12H10O4/c13-6-1-2-7-8-3-4-9(14)11(8)12(15)16-10(7)5-6/h1-2,5,9,13-14H,3-4H2
InChIKeyULABDFODPOVTSU-UHFFFAOYSA-N
XLogP1.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-3,4-bis(hydroxymethyl)chromen-2-one
CID 58676736
3-amino-4,7-dihydroxychromen-2-one
CID 54691343
9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 11510769
3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
CID 13381781
3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one
CID 89072166
4,7-dihydroxy-2-oxochromene-3-carbaldehyde
CID 137208579
7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
CID 10221024
8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one
CID 167646162
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
CID 153050234
CID 153050234
3,7,8-trihydroxybenzo[c]chromen-6-one
CID 72793787
7-hydroxy-4-methyl-3-phosphanylchromen-2-one
CID 88515701

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of 3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 164598328) is 3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for 3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for 3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is O=c1oc2cc(O)ccc2c2c1C(O)CC2.
What is the InChIKey of 3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is ULABDFODPOVTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c13-6-1-2-7-8-3-4-9(14)11(8)12(15)16-10(7)5-6/h1-2,5,9,13-14H,3-4H2.
What are the key properties of 3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one has a molecular weight of 218.21 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 164598328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).