(4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone

C23H27NO2 — CID 89283491

IUPAC(4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1N=O
InChIInChI=1S/C23H27NO2/c1-14-7-8-16(12-20(14)24-26)21(25)17-13-19-18(11-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3
InChIKeyQBKURPFQOBDVJS-UHFFFAOYSA-N
MW349.47 g/mol
LogP6.28
Rot. Bonds3

About (4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone

(4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone (PubChem CID 89283491) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is (4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone
PubChem CID89283491
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name(4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1N=O
InChIInChI=1S/C23H27NO2/c1-14-7-8-16(12-20(14)24-26)21(25)17-13-19-18(11-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3
InChIKeyQBKURPFQOBDVJS-UHFFFAOYSA-N
XLogP6.28
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone 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 (4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone?
The IUPAC name of (4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone (CID 89283491) is (4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone.
What is the SMILES notation for (4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone?
The canonical SMILES for (4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone is Cc1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1N=O.
What is the InChIKey of (4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone?
The InChIKey is QBKURPFQOBDVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-14-7-8-16(12-20(14)24-26)21(25)17-13-19-18(11-15(17)2)22(3,4)9-10-23(19,5)6/h7-8,11-13H,9-10H2,1-6H3.
What are the key properties of (4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone?
(4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone has a molecular weight of 349.47 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone is sourced from PubChem (CID 89283491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).