8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol

C19H18O5 — CID 71495704

IUPAC8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol
SMILESCCCc1c(O)ccc2c1OC1=C(C2)c2cc(O)c(O)cc2OC1
InChIInChI=1S/C19H18O5/c1-2-3-11-14(20)5-4-10-6-12-13-7-15(21)16(22)8-17(13)23-9-18(12)24-19(10)11/h4-5,7-8,20-22H,2-3,6,9H2,1H3
InChIKeyPLBKGBLUOXWNDU-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.49
Rot. Bonds2

About 8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol

8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol (PubChem CID 71495704) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol.

Molecular Properties

Compound Name8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol
PubChem CID71495704
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol
SMILESCCCc1c(O)ccc2c1OC1=C(C2)c2cc(O)c(O)cc2OC1
InChIInChI=1S/C19H18O5/c1-2-3-11-14(20)5-4-10-6-12-13-7-15(21)16(22)8-17(13)23-9-18(12)24-19(10)11/h4-5,7-8,20-22H,2-3,6,9H2,1H3
InChIKeyPLBKGBLUOXWNDU-UHFFFAOYSA-N
XLogP3.49
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol?
The IUPAC name of 8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol (CID 71495704) is 8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol.
What is the SMILES notation for 8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol?
The canonical SMILES for 8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol is CCCc1c(O)ccc2c1OC1=C(C2)c2cc(O)c(O)cc2OC1.
What is the InChIKey of 8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol?
The InChIKey is PLBKGBLUOXWNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-2-3-11-14(20)5-4-10-6-12-13-7-15(21)16(22)8-17(13)23-9-18(12)24-19(10)11/h4-5,7-8,20-22H,2-3,6,9H2,1H3.
What are the key properties of 8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol?
8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol has a molecular weight of 326.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol is sourced from PubChem (CID 71495704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).