1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol

C15H17NO3S — CID 63016395

IUPAC1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol
SMILESO=[N+]([O-])c1ccc(CC(O)CCCc2cccs2)cc1
InChIInChI=1S/C15H17NO3S/c17-14(3-1-4-15-5-2-10-20-15)11-12-6-8-13(9-7-12)16(18)19/h2,5-10,14,17H,1,3-4,11H2
InChIKeyBENUYJFIINXRRH-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.58
Rot. Bonds7

About 1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol

1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol (PubChem CID 63016395) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol.

Molecular Properties

Compound Name1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol
PubChem CID63016395
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol
SMILESO=[N+]([O-])c1ccc(CC(O)CCCc2cccs2)cc1
InChIInChI=1S/C15H17NO3S/c17-14(3-1-4-15-5-2-10-20-15)11-12-6-8-13(9-7-12)16(18)19/h2,5-10,14,17H,1,3-4,11H2
InChIKeyBENUYJFIINXRRH-UHFFFAOYSA-N
XLogP3.58
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol
CID 66460697
1-(4-propan-2-ylphenyl)-5-thiophen-2-ylpentan-2-ol
CID 105089080
1-(3,4-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 63520188
1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol
CID 105123144
1-pyridin-3-yl-5-thiophen-2-ylpentan-2-ol
CID 105125071
1-(4-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 107894455
5-methyl-1-(4-nitrophenyl)hexan-2-ol
CID 63017698
(4-nitrophenyl)methyl N-(3-thiophen-2-ylpropyl)carbamate
CID 70512466
4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 23104820
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
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CID 105098636
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CID 149061818

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol?
The IUPAC name of 1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol (CID 63016395) is 1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol.
What is the SMILES notation for 1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol?
The canonical SMILES for 1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol is O=[N+]([O-])c1ccc(CC(O)CCCc2cccs2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol?
The InChIKey is BENUYJFIINXRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-14(3-1-4-15-5-2-10-20-15)11-12-6-8-13(9-7-12)16(18)19/h2,5-10,14,17H,1,3-4,11H2.
What are the key properties of 1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol?
1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol has a molecular weight of 291.37 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-5-thiophen-2-ylpentan-2-ol is sourced from PubChem (CID 63016395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).