1-(4-nitrophenyl)-3-phenylpropan-1-ol

C15H15NO3 — CID 155543661

IUPAC1-(4-nitrophenyl)-3-phenylpropan-1-ol
SMILESO=[N+]([O-])c1ccc(C(O)CCc2ccccc2)cc1
InChIInChI=1S/C15H15NO3/c17-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)16(18)19/h1-5,7-10,15,17H,6,11H2
InChIKeyUOXCRSSLJNBXAQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.26
Rot. Bonds5

About 1-(4-nitrophenyl)-3-phenylpropan-1-ol

1-(4-nitrophenyl)-3-phenylpropan-1-ol (PubChem CID 155543661) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(4-nitrophenyl)-3-phenylpropan-1-ol
PubChem CID155543661
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-(4-nitrophenyl)-3-phenylpropan-1-ol
SMILESO=[N+]([O-])c1ccc(C(O)CCc2ccccc2)cc1
InChIInChI=1S/C15H15NO3/c17-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)16(18)19/h1-5,7-10,15,17H,6,11H2
InChIKeyUOXCRSSLJNBXAQ-UHFFFAOYSA-N
XLogP3.26
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
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

(1S)-1-hydroxy-1-(4-nitrophenyl)-5-phenylpentan-3-one
CID 101419386
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
(1R)-1,2-bis(4-nitrophenyl)ethanol
CID 7046140
(1R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-nitrophenyl)ethanol
CID 6952643
1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
CID 114979015
1-(3-chloro-3-phenylpropyl)-4-nitrobenzene
CID 12506435
3-[methyl-[(4-nitrophenyl)methyl]amino]-1-phenylpropan-1-ol
CID 141224806
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
2-(4-benzylpiperazin-1-yl)-1-(4-nitrophenyl)ethanol
CID 2877382
4-(4-nitrophenyl)-4-phenylbutanoic acid
CID 70520346
2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 31617514
1-(3-nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
CID 547333

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(4-nitrophenyl)-3-phenylpropan-1-ol (CID 155543661) is 1-(4-nitrophenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(4-nitrophenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(4-nitrophenyl)-3-phenylpropan-1-ol is O=[N+]([O-])c1ccc(C(O)CCc2ccccc2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-3-phenylpropan-1-ol?
The InChIKey is UOXCRSSLJNBXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)16(18)19/h1-5,7-10,15,17H,6,11H2.
What are the key properties of 1-(4-nitrophenyl)-3-phenylpropan-1-ol?
1-(4-nitrophenyl)-3-phenylpropan-1-ol has a molecular weight of 257.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 155543661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).