[4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol

C18H20N2O4 — CID 56806213

IUPAC[4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol
SMILESCOc1ccc(C2CCN(c3ccc(CO)cc3[N+](=O)[O-])C2)cc1
InChIInChI=1S/C18H20N2O4/c1-24-16-5-3-14(4-6-16)15-8-9-19(11-15)17-7-2-13(12-21)10-18(17)20(22)23/h2-7,10,15,21H,8-9,11-12H2,1H3
InChIKeyXTCQMPQONRMJRQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.09
Rot. Bonds5

About [4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol

[4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol (PubChem CID 56806213) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol
PubChem CID56806213
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol
SMILESCOc1ccc(C2CCN(c3ccc(CO)cc3[N+](=O)[O-])C2)cc1
InChIInChI=1S/C18H20N2O4/c1-24-16-5-3-14(4-6-16)15-8-9-19(11-15)17-7-2-13(12-21)10-18(17)20(22)23/h2-7,10,15,21H,8-9,11-12H2,1H3
InChIKeyXTCQMPQONRMJRQ-UHFFFAOYSA-N
XLogP3.09
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-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-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-4-nitrophenyl]methanol
CID 133437902
[4-(2-methyl-1,4-oxazepan-4-yl)-3-nitrophenyl]methanol
CID 62974876
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-nitrophenyl]methanol
CID 28963407
1-(4-cyano-2-nitrophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341521
1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63249355
[3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol
CID 133438449
[4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol
CID 133438802
1-[4-(hydroxymethyl)-2-nitrophenyl]-4-methylpiperidin-4-ol
CID 80702841
[4-(4-methoxypyrazol-1-yl)-3-nitrophenyl]methanol
CID 114274095
N-[(4-methoxyphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 25354339
(4-morpholin-4-yl-3-nitrophenyl)methanol chloride
CID 45108369
[4-[4-(hydroxymethyl)-2-nitrophenyl]-6-methylmorpholin-2-yl]methanol
CID 102933448

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol?
The IUPAC name of [4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol (CID 56806213) is [4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol.
What is the SMILES notation for [4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol?
The canonical SMILES for [4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol is COc1ccc(C2CCN(c3ccc(CO)cc3[N+](=O)[O-])C2)cc1.
What is the InChIKey of [4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol?
The InChIKey is XTCQMPQONRMJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-24-16-5-3-14(4-6-16)15-8-9-19(11-15)17-7-2-13(12-21)10-18(17)20(22)23/h2-7,10,15,21H,8-9,11-12H2,1H3.
What are the key properties of [4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol?
[4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol has a molecular weight of 328.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol is sourced from PubChem (CID 56806213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).