2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol

C17H18FNO2 — CID 102355502

IUPAC2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol
SMILESOc1ccccc1C(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H18FNO2/c18-14-7-5-13(6-8-14)17(19-9-11-21-12-10-19)15-3-1-2-4-16(15)20/h1-8,17,20H,9-12H2
InChIKeyITCPRDIWGLRFQW-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.95
Rot. Bonds3

About 2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol

2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol (PubChem CID 102355502) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol
PubChem CID102355502
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol
SMILESOc1ccccc1C(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H18FNO2/c18-14-7-5-13(6-8-14)17(19-9-11-21-12-10-19)15-3-1-2-4-16(15)20/h1-8,17,20H,9-12H2
InChIKeyITCPRDIWGLRFQW-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol 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-[(S)-morpholin-4-yl(phenyl)methyl]phenol
CID 36690968
2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol
CID 102327495
4-[bis(4-fluorophenyl)methyl]morpholine
CID 25146239
6-[(S)-(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
CID 92857334
6-[(R)-(4-fluorophenyl)-[4-[(R)-(4-fluorophenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 92573449
2-[morpholin-4-yl(phenyl)methyl]aniline
CID 160604739
1-[(2-chlorophenyl)-(4-fluorophenyl)methyl]azetidine
CID 141103100
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46614351
4-[(4-fluorophenyl)-(2-phenyl-1H-indol-3-yl)methyl]morpholine
CID 134467375
6-[(3,5-difluorophenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
CID 2795633
4-[[1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidin-4-yl]methyl]morpholine
CID 96522284
4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine
CID 135368630

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol?
The IUPAC name of 2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol (CID 102355502) is 2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol.
What is the SMILES notation for 2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol?
The canonical SMILES for 2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol is Oc1ccccc1C(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol?
The InChIKey is ITCPRDIWGLRFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-14-7-5-13(6-8-14)17(19-9-11-21-12-10-19)15-3-1-2-4-16(15)20/h1-8,17,20H,9-12H2.
What are the key properties of 2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol?
2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol has a molecular weight of 287.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol is sourced from PubChem (CID 102355502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).