(5R)-6-nitro-1,5-diphenylhexan-3-one

C18H19NO3 — CID 132837349

IUPAC(5R)-6-nitro-1,5-diphenylhexan-3-one
SMILESO=C(CCc1ccccc1)C[C@@H](C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C18H19NO3/c20-18(12-11-15-7-3-1-4-8-15)13-17(14-19(21)22)16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyZRYVTRNDLYKTAX-KRWDZBQOSA-N
MW297.35 g/mol
LogP3.64
Rot. Bonds8

About (5R)-6-nitro-1,5-diphenylhexan-3-one

(5R)-6-nitro-1,5-diphenylhexan-3-one (PubChem CID 132837349) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (5R)-6-nitro-1,5-diphenylhexan-3-one.

Molecular Properties

Compound Name(5R)-6-nitro-1,5-diphenylhexan-3-one
PubChem CID132837349
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(5R)-6-nitro-1,5-diphenylhexan-3-one
SMILESO=C(CCc1ccccc1)C[C@@H](C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C18H19NO3/c20-18(12-11-15-7-3-1-4-8-15)13-17(14-19(21)22)16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyZRYVTRNDLYKTAX-KRWDZBQOSA-N
XLogP3.64
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-6-nitro-5-phenylhexan-3-one
CID 16720921
(3R)-4-nitro-3-phenylbutanoic acid
CID 26339937
(5R)-6-nitro-1,5-diphenylhexane-1,3-dione
CID 132837335
(1S)-1-hydroxy-1-(4-nitrophenyl)-5-phenylpentan-3-one
CID 101419386
1-(2-methylphenyl)-4-nitro-3-phenylbutan-1-one
CID 72747344
(3S)-1-(2-bromophenyl)-4-nitro-3-phenylbutan-1-one
CID 146163753
(4S)-1-[tert-butyl(dimethyl)silyl]oxy-5-nitro-4-phenylpentan-2-one
CID 135000820
trimethyl-(3-nitro-2-phenylpropyl)silane
CID 15526873
(3S)-4-nitro-1,3-diphenylbutan-2-one
CID 163572422
(3R)-3-(4-fluorophenyl)-4-nitro-1-phenylbutan-1-one
CID 102399044
4-nitro-3-phenylbutanal
CID 75046041
(5R)-6-nitro-1-phenyl-5-[4-(trifluoromethyl)phenyl]hexane-1,3-dione
CID 132837344

Frequently Asked Questions

What is the IUPAC name of (5R)-6-nitro-1,5-diphenylhexan-3-one?
The IUPAC name of (5R)-6-nitro-1,5-diphenylhexan-3-one (CID 132837349) is (5R)-6-nitro-1,5-diphenylhexan-3-one.
What is the SMILES notation for (5R)-6-nitro-1,5-diphenylhexan-3-one?
The canonical SMILES for (5R)-6-nitro-1,5-diphenylhexan-3-one is O=C(CCc1ccccc1)C[C@@H](C[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (5R)-6-nitro-1,5-diphenylhexan-3-one?
The InChIKey is ZRYVTRNDLYKTAX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NO3/c20-18(12-11-15-7-3-1-4-8-15)13-17(14-19(21)22)16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1.
What are the key properties of (5R)-6-nitro-1,5-diphenylhexan-3-one?
(5R)-6-nitro-1,5-diphenylhexan-3-one has a molecular weight of 297.35 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-nitro-1,5-diphenylhexan-3-one is sourced from PubChem (CID 132837349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).