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

C15H15NO2 — CID 91063046

IUPAC1-methoxy-4-(1-nitroso-2-phenylethyl)benzene
SMILESCOc1ccc(C(Cc2ccccc2)N=O)cc1
InChIInChI=1S/C15H15NO2/c1-18-14-9-7-13(8-10-14)15(16-17)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3
InChIKeyYSKVDVKHMYIESR-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.75
Rot. Bonds5

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

1-methoxy-4-(1-nitroso-2-phenylethyl)benzene (PubChem CID 91063046) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-methoxy-4-(1-nitroso-2-phenylethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(1-nitroso-2-phenylethyl)benzene
PubChem CID91063046
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-methoxy-4-(1-nitroso-2-phenylethyl)benzene
SMILESCOc1ccc(C(Cc2ccccc2)N=O)cc1
InChIInChI=1S/C15H15NO2/c1-18-14-9-7-13(8-10-14)15(16-17)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3
InChIKeyYSKVDVKHMYIESR-UHFFFAOYSA-N
XLogP3.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-(1-nitroso-2-phenylethyl)benzene
CID 90939513
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
[1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105190728
(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride
CID 54602354
4-bromo-2-[2-(4-methoxyphenyl)-2-nitrosoethyl]pyridine
CID 123789505
(2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one
CID 139118862

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(1-nitroso-2-phenylethyl)benzene?
The IUPAC name of 1-methoxy-4-(1-nitroso-2-phenylethyl)benzene (CID 91063046) is 1-methoxy-4-(1-nitroso-2-phenylethyl)benzene.
What is the SMILES notation for 1-methoxy-4-(1-nitroso-2-phenylethyl)benzene?
The canonical SMILES for 1-methoxy-4-(1-nitroso-2-phenylethyl)benzene is COc1ccc(C(Cc2ccccc2)N=O)cc1.
What is the InChIKey of 1-methoxy-4-(1-nitroso-2-phenylethyl)benzene?
The InChIKey is YSKVDVKHMYIESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-18-14-9-7-13(8-10-14)15(16-17)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3.
What are the key properties of 1-methoxy-4-(1-nitroso-2-phenylethyl)benzene?
1-methoxy-4-(1-nitroso-2-phenylethyl)benzene has a molecular weight of 241.29 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1-nitroso-2-phenylethyl)benzene is sourced from PubChem (CID 91063046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).