9-[2-(hydroxymethyl)phenyl]xanthen-3-one

C20H14O3 — CID 143532367

IUPAC9-[2-(hydroxymethyl)phenyl]xanthen-3-one
SMILESO=c1ccc2c(-c3ccccc3CO)c3ccccc3oc-2c1
InChIInChI=1S/C20H14O3/c21-12-13-5-1-2-6-15(13)20-16-7-3-4-8-18(16)23-19-11-14(22)9-10-17(19)20/h1-11,21H,12H2
InChIKeyLKOPIQUUQIRRNZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.06
Rot. Bonds2

About 9-[2-(hydroxymethyl)phenyl]xanthen-3-one

9-[2-(hydroxymethyl)phenyl]xanthen-3-one (PubChem CID 143532367) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 9-[2-(hydroxymethyl)phenyl]xanthen-3-one.

Molecular Properties

Compound Name9-[2-(hydroxymethyl)phenyl]xanthen-3-one
PubChem CID143532367
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name9-[2-(hydroxymethyl)phenyl]xanthen-3-one
SMILESO=c1ccc2c(-c3ccccc3CO)c3ccccc3oc-2c1
InChIInChI=1S/C20H14O3/c21-12-13-5-1-2-6-15(13)20-16-7-3-4-8-18(16)23-19-11-14(22)9-10-17(19)20/h1-11,21H,12H2
InChIKeyLKOPIQUUQIRRNZ-UHFFFAOYSA-N
XLogP4.06
TPSA50.44 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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

CID 177485324
CID 177485324
9-(4-amino-2-methylphenyl)xanthen-3-one
CID 143374251
5-acetyl-2-(3-oxoxanthen-9-yl)benzoic acid;ethane;methanol
CID 145053432
N-[6-amino-9-[2-(hydroxymethyl)phenyl]xanthen-3-ylidene]acetamide
CID 102335331
6-hydroxy-9-phenylxanthen-3-one
CID 2818392
cesium 2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate
CID 162459831
disodium;2-(3-oxido-6-oxoxanthen-9-yl)benzoate;dihydrate
CID 43833461
2-(3-tert-butyl-6-oxoxanthen-9-yl)benzoic acid
CID 135251123
6-hydroxy-9-[2-[(1S)-1-hydroxy-2-methylpropyl]phenyl]xanthen-3-one
CID 90380477
disodium;iodomethane;2-(3-oxido-6-oxoxanthen-9-yl)benzoate
CID 134067319
disodium;2-(3-oxido-6-oxoxanthen-9-yl)benzenesulfonate
CID 53384586
trisodium;carbanide;carbon dioxide;2-(3-oxido-6-oxoxanthen-9-yl)benzoate
CID 157469630

Frequently Asked Questions

What is the IUPAC name of 9-[2-(hydroxymethyl)phenyl]xanthen-3-one?
The IUPAC name of 9-[2-(hydroxymethyl)phenyl]xanthen-3-one (CID 143532367) is 9-[2-(hydroxymethyl)phenyl]xanthen-3-one.
What is the SMILES notation for 9-[2-(hydroxymethyl)phenyl]xanthen-3-one?
The canonical SMILES for 9-[2-(hydroxymethyl)phenyl]xanthen-3-one is O=c1ccc2c(-c3ccccc3CO)c3ccccc3oc-2c1.
What is the InChIKey of 9-[2-(hydroxymethyl)phenyl]xanthen-3-one?
The InChIKey is LKOPIQUUQIRRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c21-12-13-5-1-2-6-15(13)20-16-7-3-4-8-18(16)23-19-11-14(22)9-10-17(19)20/h1-11,21H,12H2.
What are the key properties of 9-[2-(hydroxymethyl)phenyl]xanthen-3-one?
9-[2-(hydroxymethyl)phenyl]xanthen-3-one has a molecular weight of 302.33 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(hydroxymethyl)phenyl]xanthen-3-one is sourced from PubChem (CID 143532367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).