4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one

C20H14O3 — CID 86190531

IUPAC4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one
SMILESCOC1=Cc2c(-c3ccc(O)cc3)ccc3cccc(c23)C1=O
InChIInChI=1S/C20H14O3/c1-23-18-11-17-15(12-5-8-14(21)9-6-12)10-7-13-3-2-4-16(19(13)17)20(18)22/h2-11,21H,1H3
InChIKeyYCYWQDRRGWFQGL-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.40
Rot. Bonds2

About 4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one

4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one (PubChem CID 86190531) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one
PubChem CID86190531
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one
SMILESCOC1=Cc2c(-c3ccc(O)cc3)ccc3cccc(c23)C1=O
InChIInChI=1S/C20H14O3/c1-23-18-11-17-15(12-5-8-14(21)9-6-12)10-7-13-3-2-4-16(19(13)17)20(18)22/h2-11,21H,1H3
InChIKeyYCYWQDRRGWFQGL-UHFFFAOYSA-N
XLogP4.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one?
The IUPAC name of 4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one (CID 86190531) is 4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one is COC1=Cc2c(-c3ccc(O)cc3)ccc3cccc(c23)C1=O.
What is the InChIKey of 4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one?
The InChIKey is YCYWQDRRGWFQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c1-23-18-11-17-15(12-5-8-14(21)9-6-12)10-7-13-3-2-4-16(19(13)17)20(18)22/h2-11,21H,1H3.
What are the key properties of 4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one?
4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one has a molecular weight of 302.33 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one is sourced from PubChem (CID 86190531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).