4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene

C18H21NO2 — CID 57231649

IUPAC4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene
SMILESCCCc1cc(C(C)N=O)ccc1OCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-7-17-12-16(14(2)19-20)10-11-18(17)21-13-15-8-5-4-6-9-15/h4-6,8-12,14H,3,7,13H2,1-2H3
InChIKeyYXYMDKUNLRJHAJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.05
Rot. Bonds7

About 4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene

4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene (PubChem CID 57231649) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene.

Molecular Properties

Compound Name4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene
PubChem CID57231649
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene
SMILESCCCc1cc(C(C)N=O)ccc1OCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-7-17-12-16(14(2)19-20)10-11-18(17)21-13-15-8-5-4-6-9-15/h4-6,8-12,14H,3,7,13H2,1-2H3
InChIKeyYXYMDKUNLRJHAJ-UHFFFAOYSA-N
XLogP5.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-phenylmethoxy-3-propylphenyl)acetamide
CID 57080743
2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone
CID 19910752
4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene
CID 42625428
N-[1-(3-chloro-4-phenylmethoxyphenyl)ethyl]propan-1-amine
CID 63533463
1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene
CID 57053428
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
3-phenylmethoxy-4-propylpyridine
CID 154694939
5,6-bis(phenylmethoxy)-3-propyl-1H-indole
CID 134391777
1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine
CID 133207496
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
2-bromo-1-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethanol
CID 72834291

Frequently Asked Questions

What is the IUPAC name of 4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene?
The IUPAC name of 4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene (CID 57231649) is 4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene.
What is the SMILES notation for 4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene?
The canonical SMILES for 4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene is CCCc1cc(C(C)N=O)ccc1OCc1ccccc1.
What is the InChIKey of 4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene?
The InChIKey is YXYMDKUNLRJHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-7-17-12-16(14(2)19-20)10-11-18(17)21-13-15-8-5-4-6-9-15/h4-6,8-12,14H,3,7,13H2,1-2H3.
What are the key properties of 4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene?
4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene has a molecular weight of 283.37 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene is sourced from PubChem (CID 57231649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).