1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene

C14H12ClNO2 — CID 91092835

IUPAC1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene
SMILESO=NC(Cl)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H12ClNO2/c15-14(16-17)10-11-5-4-8-13(9-11)18-12-6-2-1-3-7-12/h1-9,14H,10H2
InChIKeyMAJXYXLDGVRPOV-UHFFFAOYSA-N
MW261.71 g/mol
LogP4.35
Rot. Bonds5

About 1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene

1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene (PubChem CID 91092835) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene.

Molecular Properties

Compound Name1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene
PubChem CID91092835
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene
SMILESO=NC(Cl)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H12ClNO2/c15-14(16-17)10-11-5-4-8-13(9-11)18-12-6-2-1-3-7-12/h1-9,14H,10H2
InChIKeyMAJXYXLDGVRPOV-UHFFFAOYSA-N
XLogP4.35
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
N-[3-(3-phenoxyphenyl)propyl]nitrous amide
CID 19736886
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
1-(2-chloro-2-nitrosoethyl)-4-(2-fluorophenoxy)benzene
CID 91152313
diethyl 2-[(3-phenoxyphenyl)methyl]propanedioate
CID 10569299
(3-phenoxyphenyl)methylphosphane
CID 70930904
CID 163958367
CID 163958367
2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine
CID 90870284
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
2-(3-phenoxyphenyl)-1-phosphonatoethanesulfonate
CID 56947013
(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid
CID 124585346

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene?
The IUPAC name of 1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene (CID 91092835) is 1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene.
What is the SMILES notation for 1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene?
The canonical SMILES for 1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene is O=NC(Cl)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene?
The InChIKey is MAJXYXLDGVRPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-14(16-17)10-11-5-4-8-13(9-11)18-12-6-2-1-3-7-12/h1-9,14H,10H2.
What are the key properties of 1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene?
1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene has a molecular weight of 261.71 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene is sourced from PubChem (CID 91092835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).