4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol

C21H20O3 — CID 102484717

IUPAC4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol
SMILESCOc1cc2ccc(OC)c3c2c(c1-c1ccccc1)C(O)CC3
InChIInChI=1S/C21H20O3/c1-23-17-11-8-14-12-18(24-2)20(13-6-4-3-5-7-13)21-16(22)10-9-15(17)19(14)21/h3-8,11-12,16,22H,9-10H2,1-2H3
InChIKeyJVSRXOPVLSBOLX-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.50
Rot. Bonds3

About 4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol

4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol (PubChem CID 102484717) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol.

Molecular Properties

Compound Name4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol
PubChem CID102484717
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol
SMILESCOc1cc2ccc(OC)c3c2c(c1-c1ccccc1)C(O)CC3
InChIInChI=1S/C21H20O3/c1-23-17-11-8-14-12-18(24-2)20(13-6-4-3-5-7-13)21-16(22)10-9-15(17)19(14)21/h3-8,11-12,16,22H,9-10H2,1-2H3
InChIKeyJVSRXOPVLSBOLX-UHFFFAOYSA-N
XLogP4.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol?
The IUPAC name of 4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol (CID 102484717) is 4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol.
What is the SMILES notation for 4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol?
The canonical SMILES for 4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol is COc1cc2ccc(OC)c3c2c(c1-c1ccccc1)C(O)CC3.
What is the InChIKey of 4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol?
The InChIKey is JVSRXOPVLSBOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-23-17-11-8-14-12-18(24-2)20(13-6-4-3-5-7-13)21-16(22)10-9-15(17)19(14)21/h3-8,11-12,16,22H,9-10H2,1-2H3.
What are the key properties of 4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol?
4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol has a molecular weight of 320.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethoxy-9-phenyl-2,3-dihydro-1H-phenalen-1-ol is sourced from PubChem (CID 102484717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).