[6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone

C38H28O4 — CID 23054764

IUPAC[6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone
SMILESCc1cc(C(=O)c2ccc3cc(C(=O)c4ccc(Oc5ccccc5)c(C)c4)ccc3c2)ccc1Oc1ccccc1
InChIInChI=1S/C38H28O4/c1-25-21-29(17-19-35(25)41-33-9-5-3-6-10-33)37(39)31-15-13-28-24-32(16-14-27(28)23-31)38(40)30-18-20-36(26(2)22-30)42-34-11-7-4-8-12-34/h3-24H,1-2H3
InChIKeyQLJBEOBIGTXNTC-UHFFFAOYSA-N
MW548.64 g/mol
LogP9.50
Rot. Bonds8

About [6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone

[6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone (PubChem CID 23054764) has the molecular formula C38H28O4 and a molecular weight of 548.64 g/mol. Its IUPAC name is [6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone
PubChem CID23054764
Molecular FormulaC38H28O4
Molecular Weight548.64 g/mol
Exact Mass548.20
IUPAC Name[6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone
SMILESCc1cc(C(=O)c2ccc3cc(C(=O)c4ccc(Oc5ccccc5)c(C)c4)ccc3c2)ccc1Oc1ccccc1
InChIInChI=1S/C38H28O4/c1-25-21-29(17-19-35(25)41-33-9-5-3-6-10-33)37(39)31-15-13-28-24-32(16-14-27(28)23-31)38(40)30-18-20-36(26(2)22-30)42-34-11-7-4-8-12-34/h3-24H,1-2H3
InChIKeyQLJBEOBIGTXNTC-UHFFFAOYSA-N
XLogP9.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.64
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
CID 59022177
bis(4-fluoro-3-phenoxyphenyl)methanone
CID 67872405
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
dinaphthalen-2-ylmethanone
CID 10945915
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
3,4-diphenoxybenzoic acid
CID 70590459
(8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone
CID 139086935
methyl 4-methyl-3-phenoxybenzoate
CID 15210812
4-(4-iodo-2-methylphenoxy)benzoic acid
CID 165024392
4-(2-methoxyphenoxy)-3-methylbenzoic acid
CID 62120451

Frequently Asked Questions

What is the IUPAC name of [6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone?
The IUPAC name of [6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone (CID 23054764) is [6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone.
What is the SMILES notation for [6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone?
The canonical SMILES for [6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone is Cc1cc(C(=O)c2ccc3cc(C(=O)c4ccc(Oc5ccccc5)c(C)c4)ccc3c2)ccc1Oc1ccccc1.
What is the InChIKey of [6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone?
The InChIKey is QLJBEOBIGTXNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28O4/c1-25-21-29(17-19-35(25)41-33-9-5-3-6-10-33)37(39)31-15-13-28-24-32(16-14-27(28)23-31)38(40)30-18-20-36(26(2)22-30)42-34-11-7-4-8-12-34/h3-24H,1-2H3.
What are the key properties of [6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone?
[6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone has a molecular weight of 548.64 g/mol, XLogP of 9.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone is sourced from PubChem (CID 23054764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).