1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

C19H16O4 — CID 23500354

IUPAC1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)cc(O)c2c2c1CC(c1ccccc1)CC2
InChIInChI=1S/C19H16O4/c20-13-9-16(21)18-14-7-6-12(11-4-2-1-3-5-11)8-15(14)19(22)23-17(18)10-13/h1-5,9-10,12,20-21H,6-8H2
InChIKeyMHOJTFDLYMLLTN-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.48
Rot. Bonds1

About 1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (PubChem CID 23500354) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.

Molecular Properties

Compound Name1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
PubChem CID23500354
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)cc(O)c2c2c1CC(c1ccccc1)CC2
InChIInChI=1S/C19H16O4/c20-13-9-16(21)18-14-7-6-12(11-4-2-1-3-5-11)8-15(14)19(22)23-17(18)10-13/h1-5,9-10,12,20-21H,6-8H2
InChIKeyMHOJTFDLYMLLTN-UHFFFAOYSA-N
XLogP3.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The IUPAC name of 1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (CID 23500354) is 1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.
What is the SMILES notation for 1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The canonical SMILES for 1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is O=c1oc2cc(O)cc(O)c2c2c1CC(c1ccccc1)CC2.
What is the InChIKey of 1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The InChIKey is MHOJTFDLYMLLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c20-13-9-16(21)18-14-7-6-12(11-4-2-1-3-5-11)8-15(14)19(22)23-17(18)10-13/h1-5,9-10,12,20-21H,6-8H2.
What are the key properties of 1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one has a molecular weight of 308.33 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-8-phenyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is sourced from PubChem (CID 23500354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).