5-chloro-3-nitro-2-phenylmethoxyphenol;ethane

C15H16ClNO4 — CID 143239378

IUPAC5-chloro-3-nitro-2-phenylmethoxyphenol;ethane
SMILESCC.O=[N+]([O-])c1cc(Cl)cc(O)c1OCc1ccccc1
InChIInChI=1S/C13H10ClNO4.C2H6/c14-10-6-11(15(17)18)13(12(16)7-10)19-8-9-4-2-1-3-5-9;1-2/h1-7,16H,8H2;1-2H3
InChIKeyRMKAQWHOZZYYGY-UHFFFAOYSA-N
MW309.75 g/mol
LogP4.56
Rot. Bonds4

About 5-chloro-3-nitro-2-phenylmethoxyphenol;ethane

5-chloro-3-nitro-2-phenylmethoxyphenol;ethane (PubChem CID 143239378) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is 5-chloro-3-nitro-2-phenylmethoxyphenol;ethane.

Molecular Properties

Compound Name5-chloro-3-nitro-2-phenylmethoxyphenol;ethane
PubChem CID143239378
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Name5-chloro-3-nitro-2-phenylmethoxyphenol;ethane
SMILESCC.O=[N+]([O-])c1cc(Cl)cc(O)c1OCc1ccccc1
InChIInChI=1S/C13H10ClNO4.C2H6/c14-10-6-11(15(17)18)13(12(16)7-10)19-8-9-4-2-1-3-5-9;1-2/h1-7,16H,8H2;1-2H3
InChIKeyRMKAQWHOZZYYGY-UHFFFAOYSA-N
XLogP4.56
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.56
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

3-(5-chloro-3-nitro-2-phenylmethoxyphenyl)benzoic acid;ethane
CID 144892144
N-[2-(5-chloro-3-nitro-2-phenylmethoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 58657510
1,5-difluoro-3-nitro-2-phenylmethoxybenzene
CID 68842689
4-chloro-2-nitro-1-phenylmethoxybenzene;5-chloro-2-phenylmethoxyaniline
CID 157392009
4-[(5-chloro-3-nitro-2-phenylmethoxyphenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3886057
N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 142496937
1-bromo-2-methyl-4-nitro-3-phenylmethoxybenzene
CID 163353839
1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide
CID 20850887
3-nitro-2-phenylmethoxybenzamide
CID 18551383
4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
CID 1105902
2-[(5-hydroxy-3-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]propanedioic acid
CID 134867651
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4642031

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-nitro-2-phenylmethoxyphenol;ethane?
The IUPAC name of 5-chloro-3-nitro-2-phenylmethoxyphenol;ethane (CID 143239378) is 5-chloro-3-nitro-2-phenylmethoxyphenol;ethane.
What is the SMILES notation for 5-chloro-3-nitro-2-phenylmethoxyphenol;ethane?
The canonical SMILES for 5-chloro-3-nitro-2-phenylmethoxyphenol;ethane is CC.O=[N+]([O-])c1cc(Cl)cc(O)c1OCc1ccccc1.
What is the InChIKey of 5-chloro-3-nitro-2-phenylmethoxyphenol;ethane?
The InChIKey is RMKAQWHOZZYYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4.C2H6/c14-10-6-11(15(17)18)13(12(16)7-10)19-8-9-4-2-1-3-5-9;1-2/h1-7,16H,8H2;1-2H3.
What are the key properties of 5-chloro-3-nitro-2-phenylmethoxyphenol;ethane?
5-chloro-3-nitro-2-phenylmethoxyphenol;ethane has a molecular weight of 309.75 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-nitro-2-phenylmethoxyphenol;ethane is sourced from PubChem (CID 143239378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).