2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate

C22H17FO4 — CID 7706701

IUPAC2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate
SMILESO=C(OCCOc1ccc(F)cc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H17FO4/c23-15-9-11-16(12-10-15)25-13-14-26-22(24)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)21/h1-12,21H,13-14H2
InChIKeyXWZQPIIDHKRFOW-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.69
Rot. Bonds5

About 2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate

2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate (PubChem CID 7706701) has the molecular formula C22H17FO4 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate
PubChem CID7706701
Molecular FormulaC22H17FO4
Molecular Weight364.37 g/mol
Exact Mass364.11
IUPAC Name2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate
SMILESO=C(OCCOc1ccc(F)cc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H17FO4/c23-15-9-11-16(12-10-15)25-13-14-26-22(24)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)21/h1-12,21H,13-14H2
InChIKeyXWZQPIIDHKRFOW-UHFFFAOYSA-N
XLogP4.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate 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

2-(2,6-dichlorophenoxy)ethyl 9H-xanthene-9-carboxylate
CID 7716784
3-iodopropyl 9H-xanthene-9-carboxylate
CID 59786786
2-[di(propan-2-yl)amino]ethyl 9H-xanthene-9-carboxylate;hydrochloride
CID 169438672
(4-cyanophenyl)methyl 9H-xanthene-9-carboxylate
CID 3959169
2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate
CID 7713495
(4-oxo-4-thiophen-2-ylbutyl) 9H-xanthene-9-carboxylate
CID 7706712
1,4,5,6-tetrahydropyrimidin-2-ylmethyl 9H-xanthene-9-carboxylate
CID 134115192
(4-tert-butylphenyl) 9H-xanthene-9-carboxylate
CID 2801648
N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide
CID 4687348
2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 24685401
2-(4-fluorophenoxy)ethyl 2-amino-4-fluorobenzoate
CID 30764854
4-[2-(4-fluorophenoxy)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine-5-carboxylic acid
CID 138021365

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate (CID 7706701) is 2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate is O=C(OCCOc1ccc(F)cc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate?
The InChIKey is XWZQPIIDHKRFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FO4/c23-15-9-11-16(12-10-15)25-13-14-26-22(24)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)21/h1-12,21H,13-14H2.
What are the key properties of 2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate?
2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate has a molecular weight of 364.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl 9H-xanthene-9-carboxylate is sourced from PubChem (CID 7706701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).