2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one

C19H14O4 — CID 10804574

IUPAC2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one
SMILESO=C1c2c(-c3ccc(O)cc3)ccc3cccc(c23)C(O)C1O
InChIInChI=1S/C19H14O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,17,19-21,23H
InChIKeyHQIRTAPJDZWJHS-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.80
Rot. Bonds1

About 2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one

2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one (PubChem CID 10804574) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one
PubChem CID10804574
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one
SMILESO=C1c2c(-c3ccc(O)cc3)ccc3cccc(c23)C(O)C1O
InChIInChI=1S/C19H14O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,17,19-21,23H
InChIKeyHQIRTAPJDZWJHS-UHFFFAOYSA-N
XLogP2.80
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one?
The IUPAC name of 2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one (CID 10804574) is 2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one.
What is the SMILES notation for 2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one?
The canonical SMILES for 2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one is O=C1c2c(-c3ccc(O)cc3)ccc3cccc(c23)C(O)C1O.
What is the InChIKey of 2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one?
The InChIKey is HQIRTAPJDZWJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,17,19-21,23H.
What are the key properties of 2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one?
2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one has a molecular weight of 306.32 g/mol, XLogP of 2.80, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one is sourced from PubChem (CID 10804574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).