2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol

C19H22FNO4 — CID 97063266

IUPAC2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(CN2CCO[C@H](c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C19H22FNO4/c1-23-17-9-14(16(22)10-18(17)24-2)11-21-7-8-25-19(12-21)13-3-5-15(20)6-4-13/h3-6,9-10,19,22H,7-8,11-12H2,1-2H3/t19-/m0/s1
InChIKeyUYSZNKKWKWHEGP-IBGZPJMESA-N
MW347.39 g/mol
LogP3.12
Rot. Bonds5

About 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol

2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol (PubChem CID 97063266) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol.

Molecular Properties

Compound Name2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol
PubChem CID97063266
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(CN2CCO[C@H](c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C19H22FNO4/c1-23-17-9-14(16(22)10-18(17)24-2)11-21-7-8-25-19(12-21)13-3-5-15(20)6-4-13/h3-6,9-10,19,22H,7-8,11-12H2,1-2H3/t19-/m0/s1
InChIKeyUYSZNKKWKWHEGP-IBGZPJMESA-N
XLogP3.12
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine
CID 74237175
4-[[(2R)-2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-methoxyphenol
CID 124614792
4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol
CID 103947504
2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 77271449
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36737398
3-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methoxyphenyl)propanamide
CID 43065717
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357
4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine
CID 77271766
6-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-2-amine
CID 110112505
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 110218665

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol?
The IUPAC name of 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol (CID 97063266) is 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol.
What is the SMILES notation for 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol?
The canonical SMILES for 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol is COc1cc(O)c(CN2CCO[C@H](c3ccc(F)cc3)C2)cc1OC.
What is the InChIKey of 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol?
The InChIKey is UYSZNKKWKWHEGP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22FNO4/c1-23-17-9-14(16(22)10-18(17)24-2)11-21-7-8-25-19(12-21)13-3-5-15(20)6-4-13/h3-6,9-10,19,22H,7-8,11-12H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol?
2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol has a molecular weight of 347.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol is sourced from PubChem (CID 97063266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).