1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol

C14H11Cl2NO3 — CID 63017856

IUPAC1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccccc1CC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11Cl2NO3/c15-11-5-10(6-12(16)8-11)14(18)7-9-3-1-2-4-13(9)17(19)20/h1-6,8,14,18H,7H2
InChIKeyFUVAEKNRQJCYEI-UHFFFAOYSA-N
MW312.15 g/mol
LogP4.18
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol

1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol (PubChem CID 63017856) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol
PubChem CID63017856
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccccc1CC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11Cl2NO3/c15-11-5-10(6-12(16)8-11)14(18)7-9-3-1-2-4-13(9)17(19)20/h1-6,8,14,18H,7H2
InChIKeyFUVAEKNRQJCYEI-UHFFFAOYSA-N
XLogP4.18
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 54.18
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

1-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 82890343
1-[2-bromo-2-(3-chlorophenyl)ethyl]-2-nitrobenzene
CID 63542749
1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine
CID 107955229
1-(3-chloro-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
CID 81323338
1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol
CID 63017859
1,4-dichloro-2-[1-chloro-2-(2-nitrophenyl)ethyl]benzene
CID 63519709
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 107955239
(2-nitrophenyl)methanol
CID 11923
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 63049499
1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol
CID 106855965

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol (CID 63017856) is 1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol is O=[N+]([O-])c1ccccc1CC(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol?
The InChIKey is FUVAEKNRQJCYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c15-11-5-10(6-12(16)8-11)14(18)7-9-3-1-2-4-13(9)17(19)20/h1-6,8,14,18H,7H2.
What are the key properties of 1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol?
1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol has a molecular weight of 312.15 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol is sourced from PubChem (CID 63017856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).