[5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone

C30H28O4 — CID 132559325

IUPAC[5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(C)cc(C)c3)c(OC)ccc2c1C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C30H28O4/c1-17-11-18(2)14-21(13-17)29(31)27-23-7-10-26(34-6)28(24(23)8-9-25(27)33-5)30(32)22-15-19(3)12-20(4)16-22/h7-16H,1-6H3
InChIKeyXVUQVDBQYMZEIC-UHFFFAOYSA-N
MW452.55 g/mol
LogP6.55
Rot. Bonds6

About [5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone

[5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone (PubChem CID 132559325) has the molecular formula C30H28O4 and a molecular weight of 452.55 g/mol. Its IUPAC name is [5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone
PubChem CID132559325
Molecular FormulaC30H28O4
Molecular Weight452.55 g/mol
Exact Mass452.20
IUPAC Name[5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(C)cc(C)c3)c(OC)ccc2c1C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C30H28O4/c1-17-11-18(2)14-21(13-17)29(31)27-23-7-10-26(34-6)28(24(23)8-9-25(27)33-5)30(32)22-15-19(3)12-20(4)16-22/h7-16H,1-6H3
InChIKeyXVUQVDBQYMZEIC-UHFFFAOYSA-N
XLogP6.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(3,5-dimethylphenyl)methanone
CID 15640171
(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104850964
(2,6-dimethoxy-3-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone
CID 174779309
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 105118811
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115787635
(6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 59138493
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104851039

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone?
The IUPAC name of [5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone (CID 132559325) is [5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for [5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone?
The canonical SMILES for [5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone is COc1ccc2c(C(=O)c3cc(C)cc(C)c3)c(OC)ccc2c1C(=O)c1cc(C)cc(C)c1.
What is the InChIKey of [5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone?
The InChIKey is XVUQVDBQYMZEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O4/c1-17-11-18(2)14-21(13-17)29(31)27-23-7-10-26(34-6)28(24(23)8-9-25(27)33-5)30(32)22-15-19(3)12-20(4)16-22/h7-16H,1-6H3.
What are the key properties of [5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone?
[5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone has a molecular weight of 452.55 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 132559325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).