1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one

C32H34O5 — CID 157326026

IUPAC1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one
SMILESO=C(CCCOCCOCCOCCCC(=O)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C32H34O5/c33-31(29-15-5-11-25-9-1-3-13-27(25)29)17-7-19-35-21-23-37-24-22-36-20-8-18-32(34)30-16-6-12-26-10-2-4-14-28(26)30/h1-6,9-16H,7-8,17-24H2
InChIKeyBESOUUXVNZXBIR-UHFFFAOYSA-N
MW498.62 g/mol
LogP6.67
Rot. Bonds16

About 1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one

1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one (PubChem CID 157326026) has the molecular formula C32H34O5 and a molecular weight of 498.62 g/mol. Its IUPAC name is 1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one.

Molecular Properties

Compound Name1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one
PubChem CID157326026
Molecular FormulaC32H34O5
Molecular Weight498.62 g/mol
Exact Mass498.24
IUPAC Name1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one
SMILESO=C(CCCOCCOCCOCCCC(=O)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C32H34O5/c33-31(29-15-5-11-25-9-1-3-13-27(25)29)17-7-19-35-21-23-37-24-22-36-20-8-18-32(34)30-16-6-12-26-10-2-4-14-28(26)30/h1-6,9-16H,7-8,17-24H2
InChIKeyBESOUUXVNZXBIR-UHFFFAOYSA-N
XLogP6.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-1-naphthalen-1-ylbutan-1-one
CID 105094445
3-(2-methoxyethoxy)-1-naphthalen-1-ylpropan-1-one
CID 113236326
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
1-naphthalen-1-yldodecan-1-one
CID 3424169
1,8-dinaphthalen-1-yloctane-1,2,8-trione
CID 140639946
1-naphthalen-1-yl-3-phenoxypropan-1-one
CID 62717239
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
1,8-dinaphthalen-1-yloctane-1,5,7-trione
CID 140639848
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529
1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
CID 54160942
4-methoxy-1-naphthalen-1-ylpentan-1-one
CID 105094486
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
CID 14529191

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one?
The IUPAC name of 1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one (CID 157326026) is 1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one.
What is the SMILES notation for 1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one?
The canonical SMILES for 1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one is O=C(CCCOCCOCCOCCCC(=O)c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one?
The InChIKey is BESOUUXVNZXBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O5/c33-31(29-15-5-11-25-9-1-3-13-27(25)29)17-7-19-35-21-23-37-24-22-36-20-8-18-32(34)30-16-6-12-26-10-2-4-14-28(26)30/h1-6,9-16H,7-8,17-24H2.
What are the key properties of 1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one?
1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one has a molecular weight of 498.62 g/mol, XLogP of 6.67, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one is sourced from PubChem (CID 157326026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).