(4-morpholin-4-yl-3-nitrophenyl)methanol chloride

C11H14ClN2O4- — CID 45108369

IUPAC(4-morpholin-4-yl-3-nitrophenyl)methanol chloride
SMILESO=[N+]([O-])c1cc(CO)ccc1N1CCOCC1.[Cl-]
InChIInChI=1S/C11H14N2O4.ClH/c14-8-9-1-2-10(11(7-9)13(15)16)12-3-5-17-6-4-12;/h1-2,7,14H,3-6,8H2;1H/p-1
InChIKeyMVFDEIKLDGYHRX-UHFFFAOYSA-M
MW273.70 g/mol
LogP-2.07
Rot. Bonds3

About (4-morpholin-4-yl-3-nitrophenyl)methanol chloride

(4-morpholin-4-yl-3-nitrophenyl)methanol chloride (PubChem CID 45108369) has the molecular formula C11H14ClN2O4- and a molecular weight of 273.70 g/mol. Its IUPAC name is (4-morpholin-4-yl-3-nitrophenyl)methanol chloride.

Molecular Properties

Compound Name(4-morpholin-4-yl-3-nitrophenyl)methanol chloride
PubChem CID45108369
Molecular FormulaC11H14ClN2O4-
Molecular Weight273.70 g/mol
Exact Mass273.06
IUPAC Name(4-morpholin-4-yl-3-nitrophenyl)methanol chloride
SMILESO=[N+]([O-])c1cc(CO)ccc1N1CCOCC1.[Cl-]
InChIInChI=1S/C11H14N2O4.ClH/c14-8-9-1-2-10(11(7-9)13(15)16)12-3-5-17-6-4-12;/h1-2,7,14H,3-6,8H2;1H/p-1
InChIKeyMVFDEIKLDGYHRX-UHFFFAOYSA-M
XLogP-2.07
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 5-2.07
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'}

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Related Compounds

1-[4-(hydroxymethyl)-2-nitrophenyl]-4-methylpiperidin-4-ol
CID 80702841
4-[4-(hydroxymethyl)-2-nitrophenyl]-1,4-diazepan-2-one
CID 65366471
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-nitrophenyl]methanol
CID 28963407
4-[4-[3-(4-methylpiperazin-1-yl)propyl]-2-nitrophenyl]morpholine
CID 170863085
[4-(2-methyl-1,4-oxazepan-4-yl)-3-nitrophenyl]methanol
CID 62974876
3,4-dimethyl-N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]aniline
CID 91674372
N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 138624235
CID 161011543
CID 161011543
N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]naphthalen-1-amine
CID 91674377
3-methyl-N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]aniline
CID 91674371
4-butyl-N-[(4-morpholin-4-yl-3-nitrophenyl)methyl]aniline
CID 91674380
1-[1-[4-(hydroxymethyl)-2-nitrophenyl]piperidin-4-yl]piperidin-2-one
CID 71145347

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-yl-3-nitrophenyl)methanol chloride?
The IUPAC name of (4-morpholin-4-yl-3-nitrophenyl)methanol chloride (CID 45108369) is (4-morpholin-4-yl-3-nitrophenyl)methanol chloride.
What is the SMILES notation for (4-morpholin-4-yl-3-nitrophenyl)methanol chloride?
The canonical SMILES for (4-morpholin-4-yl-3-nitrophenyl)methanol chloride is O=[N+]([O-])c1cc(CO)ccc1N1CCOCC1.[Cl-].
What is the InChIKey of (4-morpholin-4-yl-3-nitrophenyl)methanol chloride?
The InChIKey is MVFDEIKLDGYHRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N2O4.ClH/c14-8-9-1-2-10(11(7-9)13(15)16)12-3-5-17-6-4-12;/h1-2,7,14H,3-6,8H2;1H/p-1.
What are the key properties of (4-morpholin-4-yl-3-nitrophenyl)methanol chloride?
(4-morpholin-4-yl-3-nitrophenyl)methanol chloride has a molecular weight of 273.70 g/mol, XLogP of -2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-yl-3-nitrophenyl)methanol chloride is sourced from PubChem (CID 45108369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).