1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone

C34H42O6 — CID 23520521

IUPAC1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCCCCCOc2cccc(OCCCCCCOc3ccc(C(C)=O)cc3)c2)cc1
InChIInChI=1S/C34H42O6/c1-27(35)29-14-18-31(19-15-29)37-22-7-3-5-9-24-39-33-12-11-13-34(26-33)40-25-10-6-4-8-23-38-32-20-16-30(17-21-32)28(2)36/h11-21,26H,3-10,22-25H2,1-2H3
InChIKeyNOXRIKZSCLJAOY-UHFFFAOYSA-N
MW546.70 g/mol
LogP8.13
Rot. Bonds20

About 1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone

1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone (PubChem CID 23520521) has the molecular formula C34H42O6 and a molecular weight of 546.70 g/mol. Its IUPAC name is 1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone
PubChem CID23520521
Molecular FormulaC34H42O6
Molecular Weight546.70 g/mol
Exact Mass546.30
IUPAC Name1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCCCCCOc2cccc(OCCCCCCOc3ccc(C(C)=O)cc3)c2)cc1
InChIInChI=1S/C34H42O6/c1-27(35)29-14-18-31(19-15-29)37-22-7-3-5-9-24-39-33-12-11-13-34(26-33)40-25-10-6-4-8-23-38-32-20-16-30(17-21-32)28(2)36/h11-21,26H,3-10,22-25H2,1-2H3
InChIKeyNOXRIKZSCLJAOY-UHFFFAOYSA-N
XLogP8.13
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.70
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-henicosoxyphenyl)ethanone
CID 23127401
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CID 14348752
[4-[3-[4-[4-[5-[4-[4-[3-[4-(4-octadecoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenoxy]carbonylphenoxy]pentoxy]benzoyl]oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-octadecoxybenzoate
CID 102574900
[4-[3-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-dodecoxybenzoate
CID 102071974
1-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729325
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
4-(4-acetylphenoxy)butyl-trimethylazanium bromide
CID 71336135
1-(4-pentoxyphenyl)ethanone;1,4-xylene
CID 142206673
1-[4-[2-(3-ethoxyphenoxy)ethylsulfanyl]phenyl]ethanone
CID 94780515
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone (CID 23520521) is 1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone is CC(=O)c1ccc(OCCCCCCOc2cccc(OCCCCCCOc3ccc(C(C)=O)cc3)c2)cc1.
What is the InChIKey of 1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone?
The InChIKey is NOXRIKZSCLJAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42O6/c1-27(35)29-14-18-31(19-15-29)37-22-7-3-5-9-24-39-33-12-11-13-34(26-33)40-25-10-6-4-8-23-38-32-20-16-30(17-21-32)28(2)36/h11-21,26H,3-10,22-25H2,1-2H3.
What are the key properties of 1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone?
1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone has a molecular weight of 546.70 g/mol, XLogP of 8.13, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone is sourced from PubChem (CID 23520521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).