1-(4-nitrophenoxy)-3-phenoxypropan-2-ol

C15H15NO5 — CID 10493641

IUPAC1-(4-nitrophenoxy)-3-phenoxypropan-2-ol
SMILESO=[N+]([O-])c1ccc(OCC(O)COc2ccccc2)cc1
InChIInChI=1S/C15H15NO5/c17-13(10-20-14-4-2-1-3-5-14)11-21-15-8-6-12(7-9-15)16(18)19/h1-9,13,17H,10-11H2
InChIKeyKYJCOORUDUPNLT-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.41
Rot. Bonds7

About 1-(4-nitrophenoxy)-3-phenoxypropan-2-ol

1-(4-nitrophenoxy)-3-phenoxypropan-2-ol (PubChem CID 10493641) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-(4-nitrophenoxy)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-nitrophenoxy)-3-phenoxypropan-2-ol
PubChem CID10493641
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name1-(4-nitrophenoxy)-3-phenoxypropan-2-ol
SMILESO=[N+]([O-])c1ccc(OCC(O)COc2ccccc2)cc1
InChIInChI=1S/C15H15NO5/c17-13(10-20-14-4-2-1-3-5-14)11-21-15-8-6-12(7-9-15)16(18)19/h1-9,13,17H,10-11H2
InChIKeyKYJCOORUDUPNLT-UHFFFAOYSA-N
XLogP2.41
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-anilino-3-(4-nitrophenoxy)propan-2-ol
CID 2883975
(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol
CID 30078485
[(2S)-2-hydroxy-3-phenoxypropyl] nitrate
CID 177409654
1-(N-methylanilino)-3-(4-nitrophenoxy)propan-2-ol
CID 5000056
1-(benzylamino)-3-(4-nitrophenoxy)propan-2-ol
CID 42614705
(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid
CID 166746299
1-[(4-nitrophenyl)methylideneamino]-3-phenoxypropan-2-ol
CID 86184636
(2S)-4-methyl-1-(4-nitrophenoxy)pentan-2-ol
CID 139311755
[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]-(4-nitrophenyl)methanone
CID 3065531
(2S)-1-(4-nitrophenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol
CID 6970381
1-[4-(4-nitrophenyl)pyrazol-1-yl]-3-phenoxypropan-2-ol
CID 109411743
(2S)-1-(4-nitrophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 1122027

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenoxy)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(4-nitrophenoxy)-3-phenoxypropan-2-ol (CID 10493641) is 1-(4-nitrophenoxy)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(4-nitrophenoxy)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(4-nitrophenoxy)-3-phenoxypropan-2-ol is O=[N+]([O-])c1ccc(OCC(O)COc2ccccc2)cc1.
What is the InChIKey of 1-(4-nitrophenoxy)-3-phenoxypropan-2-ol?
The InChIKey is KYJCOORUDUPNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c17-13(10-20-14-4-2-1-3-5-14)11-21-15-8-6-12(7-9-15)16(18)19/h1-9,13,17H,10-11H2.
What are the key properties of 1-(4-nitrophenoxy)-3-phenoxypropan-2-ol?
1-(4-nitrophenoxy)-3-phenoxypropan-2-ol has a molecular weight of 289.29 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenoxy)-3-phenoxypropan-2-ol is sourced from PubChem (CID 10493641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).