7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one

C20H18O3 — CID 23545783

IUPAC7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one
SMILESCC12CCC(=O)C(c3ccc(O)cc3)=C1c1ccc(O)cc1C2
InChIInChI=1S/C20H18O3/c1-20-9-8-17(23)18(12-2-4-14(21)5-3-12)19(20)16-7-6-15(22)10-13(16)11-20/h2-7,10,21-22H,8-9,11H2,1H3
InChIKeyUNOOUMCYHAFSLI-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.93
Rot. Bonds1

About 7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one

7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one (PubChem CID 23545783) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one.

Molecular Properties

Compound Name7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one
PubChem CID23545783
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one
SMILESCC12CCC(=O)C(c3ccc(O)cc3)=C1c1ccc(O)cc1C2
InChIInChI=1S/C20H18O3/c1-20-9-8-17(23)18(12-2-4-14(21)5-3-12)19(20)16-7-6-15(22)10-13(16)11-20/h2-7,10,21-22H,8-9,11H2,1H3
InChIKeyUNOOUMCYHAFSLI-UHFFFAOYSA-N
XLogP3.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one?
The IUPAC name of 7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one (CID 23545783) is 7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one.
What is the SMILES notation for 7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one?
The canonical SMILES for 7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one is CC12CCC(=O)C(c3ccc(O)cc3)=C1c1ccc(O)cc1C2.
What is the InChIKey of 7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one?
The InChIKey is UNOOUMCYHAFSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-20-9-8-17(23)18(12-2-4-14(21)5-3-12)19(20)16-7-6-15(22)10-13(16)11-20/h2-7,10,21-22H,8-9,11H2,1H3.
What are the key properties of 7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one?
7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one has a molecular weight of 306.36 g/mol, XLogP of 3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-(4-hydroxyphenyl)-9a-methyl-2,9-dihydro-1H-fluoren-3-one is sourced from PubChem (CID 23545783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).