2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one

C21H16O3 — CID 142428167

IUPAC2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one
SMILESO=C1C(COc2ccc(CO)cc2)=Cc2cccc3cccc1c23
InChIInChI=1S/C21H16O3/c22-12-14-7-9-18(10-8-14)24-13-17-11-16-5-1-3-15-4-2-6-19(20(15)16)21(17)23/h1-11,22H,12-13H2
InChIKeyILMHUXQJVXVZBN-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.99
Rot. Bonds4

About 2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one

2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one (PubChem CID 142428167) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one
PubChem CID142428167
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one
SMILESO=C1C(COc2ccc(CO)cc2)=Cc2cccc3cccc1c23
InChIInChI=1S/C21H16O3/c22-12-14-7-9-18(10-8-14)24-13-17-11-16-5-1-3-15-4-2-6-19(20(15)16)21(17)23/h1-11,22H,12-13H2
InChIKeyILMHUXQJVXVZBN-UHFFFAOYSA-N
XLogP3.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-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

Related Compounds

chloromethane;2-[[4-(hydroxymethyl)pyridin-1-ium-1-yl]methyl]phenalen-1-one
CID 142428100
bis(2-hydroxyethyl)-[(1-oxophenalen-2-yl)methyl]azanium
CID 140633638
3-[4-(hydroxymethyl)phenyl]acenaphthylene-1,2-dione
CID 174915839
diethoxy-[ethoxy-[(1-oxophenalen-2-yl)methoxy]methyl]sulfanium
CID 142428092
2-[2,2-bis(prop-2-enoxymethyl)butoxymethyl]phenalen-1-one
CID 142428073
dimethyl-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]-[(1-oxophenalen-2-yl)methyl]azanium;ethane
CID 142428134
2-methylphenalen-1-one
CID 15695099
methyl-[(1-oxophenalen-2-yl)methyl]-dipropylazanium chloride
CID 169427324
[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267363
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
2-hydroxyethyl acenaphthylene-1-carboxylate
CID 59547499
[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 86004724

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one?
The IUPAC name of 2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one (CID 142428167) is 2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one.
What is the SMILES notation for 2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one?
The canonical SMILES for 2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one is O=C1C(COc2ccc(CO)cc2)=Cc2cccc3cccc1c23.
What is the InChIKey of 2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one?
The InChIKey is ILMHUXQJVXVZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c22-12-14-7-9-18(10-8-14)24-13-17-11-16-5-1-3-15-4-2-6-19(20(15)16)21(17)23/h1-11,22H,12-13H2.
What are the key properties of 2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one?
2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one has a molecular weight of 316.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one is sourced from PubChem (CID 142428167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).