1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene

C20H23NO2 — CID 57053428

IUPAC1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1cc2c(cc1OCc1ccccc1)CCCC2N=O
InChIInChI=1S/C20H23NO2/c1-2-7-17-12-18-16(10-6-11-19(18)21-22)13-20(17)23-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,19H,2,6-7,10-11,14H2,1H3
InChIKeyXVILRMKXAVKOMO-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.36
Rot. Bonds6

About 1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene

1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 57053428) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene
PubChem CID57053428
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1cc2c(cc1OCc1ccccc1)CCCC2N=O
InChIInChI=1S/C20H23NO2/c1-2-7-17-12-18-16(10-6-11-19(18)21-22)13-20(17)23-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,19H,2,6-7,10-11,14H2,1H3
InChIKeyXVILRMKXAVKOMO-UHFFFAOYSA-N
XLogP5.36
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene (CID 57053428) is 1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene is CCCc1cc2c(cc1OCc1ccccc1)CCCC2N=O.
What is the InChIKey of 1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XVILRMKXAVKOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-7-17-12-18-16(10-6-11-19(18)21-22)13-20(17)23-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,19H,2,6-7,10-11,14H2,1H3.
What are the key properties of 1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene?
1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 309.41 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-6-phenylmethoxy-7-propyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 57053428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).