[3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol

C18H20N2O5 — CID 133438449

IUPAC[3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol
SMILESCOc1cccc(C2CN(c3cc(CO)ccc3[N+](=O)[O-])CCO2)c1
InChIInChI=1S/C18H20N2O5/c1-24-15-4-2-3-14(10-15)18-11-19(7-8-25-18)17-9-13(12-21)5-6-16(17)20(22)23/h2-6,9-10,18,21H,7-8,11-12H2,1H3
InChIKeyQRJWDLAZSSPGDS-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.67
Rot. Bonds5

About [3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol

[3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol (PubChem CID 133438449) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is [3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol
PubChem CID133438449
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol
SMILESCOc1cccc(C2CN(c3cc(CO)ccc3[N+](=O)[O-])CCO2)c1
InChIInChI=1S/C18H20N2O5/c1-24-15-4-2-3-14(10-15)18-11-19(7-8-25-18)17-9-13(12-21)5-6-16(17)20(22)23/h2-6,9-10,18,21H,7-8,11-12H2,1H3
InChIKeyQRJWDLAZSSPGDS-UHFFFAOYSA-N
XLogP2.67
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol 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

[3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol
CID 133437883
[3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol
CID 133438604
4-[5-(hydroxymethyl)-2-nitrophenyl]morpholine-2-carbonitrile
CID 133437639
[3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-4-nitrophenyl]methanol
CID 133437902
[4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol
CID 56806213
methyl 1-[5-(hydroxymethyl)-2-nitrophenyl]-5-phenylpiperidine-3-carboxylate
CID 133438522
methyl (3S)-1-[5-(hydroxymethyl)-2-nitrophenyl]piperidine-3-carboxylate
CID 133438070
3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol
CID 97069419
[4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol
CID 102935192
[3-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-nitrophenyl]methanol
CID 133438012
(2S)-2-amino-1-[(2S)-2-(3-methoxyphenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99852551
[3-(hydroxymethyl)phenyl]-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95468929

Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol?
The IUPAC name of [3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol (CID 133438449) is [3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol.
What is the SMILES notation for [3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol?
The canonical SMILES for [3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol is COc1cccc(C2CN(c3cc(CO)ccc3[N+](=O)[O-])CCO2)c1.
What is the InChIKey of [3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol?
The InChIKey is QRJWDLAZSSPGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-24-15-4-2-3-14(10-15)18-11-19(7-8-25-18)17-9-13(12-21)5-6-16(17)20(22)23/h2-6,9-10,18,21H,7-8,11-12H2,1H3.
What are the key properties of [3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol?
[3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol has a molecular weight of 344.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol is sourced from PubChem (CID 133438449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).