1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene

C15H14ClNO2 — CID 57271893

IUPAC1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene
SMILESCOC(c1ccc(Cl)cc1)C(N=O)c1ccccc1
InChIInChI=1S/C15H14ClNO2/c1-19-15(12-7-9-13(16)10-8-12)14(17-18)11-5-3-2-4-6-11/h2-10,14-15H,1H3
InChIKeyLSDGDXUQONRXSB-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.54
Rot. Bonds5

About 1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene

1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene (PubChem CID 57271893) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene
PubChem CID57271893
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene
SMILESCOC(c1ccc(Cl)cc1)C(N=O)c1ccccc1
InChIInChI=1S/C15H14ClNO2/c1-19-15(12-7-9-13(16)10-8-12)14(17-18)11-5-3-2-4-6-11/h2-10,14-15H,1H3
InChIKeyLSDGDXUQONRXSB-UHFFFAOYSA-N
XLogP4.54
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene?
The IUPAC name of 1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene (CID 57271893) is 1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene.
What is the SMILES notation for 1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene?
The canonical SMILES for 1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene is COC(c1ccc(Cl)cc1)C(N=O)c1ccccc1.
What is the InChIKey of 1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene?
The InChIKey is LSDGDXUQONRXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-19-15(12-7-9-13(16)10-8-12)14(17-18)11-5-3-2-4-6-11/h2-10,14-15H,1H3.
What are the key properties of 1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene?
1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene has a molecular weight of 275.74 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene is sourced from PubChem (CID 57271893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).