4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol

C32H40O5 — CID 59711338

IUPAC4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol
SMILESCCC1(COc2ccc(-c3ccc(OCCCCCCCCOc4ccc(O)cc4)cc3)cc2)COC1
InChIInChI=1S/C32H40O5/c1-2-32(23-34-24-32)25-37-31-17-11-27(12-18-31)26-9-15-29(16-10-26)35-21-7-5-3-4-6-8-22-36-30-19-13-28(33)14-20-30/h9-20,33H,2-8,21-25H2,1H3
InChIKeyAVEUKQZVPICPGK-UHFFFAOYSA-N
MW504.67 g/mol
LogP7.66
Rot. Bonds16

About 4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol

4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol (PubChem CID 59711338) has the molecular formula C32H40O5 and a molecular weight of 504.67 g/mol. Its IUPAC name is 4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol.

Molecular Properties

Compound Name4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol
PubChem CID59711338
Molecular FormulaC32H40O5
Molecular Weight504.67 g/mol
Exact Mass504.29
IUPAC Name4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol
SMILESCCC1(COc2ccc(-c3ccc(OCCCCCCCCOc4ccc(O)cc4)cc3)cc2)COC1
InChIInChI=1S/C32H40O5/c1-2-32(23-34-24-32)25-37-31-17-11-27(12-18-31)26-9-15-29(16-10-26)35-21-7-5-3-4-6-8-22-36-30-19-13-28(33)14-20-30/h9-20,33H,2-8,21-25H2,1H3
InChIKeyAVEUKQZVPICPGK-UHFFFAOYSA-N
XLogP7.66
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol with MolForge

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Related Compounds

triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane
CID 91076781
3-ethyl-3-[[6-(8-prop-2-enoxyoctoxy)naphthalen-2-yl]oxymethyl]oxetane
CID 59711354
1-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]phenyl]ethanone
CID 59318851
[4-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxy]benzoyl]oxyphenyl] 4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxy]benzoate
CID 102214597
3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane
CID 59386218
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
methyl 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate
CID 59197240
4-octadecoxyphenol
CID 22179059
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-phenylmethanone
CID 90438012
N-[4-[4-(N-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-propylphenyl)aniline
CID 143613681
3-ethyl-3-[6-[4-[9-methyl-7-[4-(trifluoromethoxy)phenyl]-9H-fluoren-2-yl]phenoxy]hexoxymethyl]oxetane
CID 71094060
7-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]phenyl]-9-methyl-9H-fluorene-2-carbonitrile
CID 71094053

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol?
The IUPAC name of 4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol (CID 59711338) is 4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol.
What is the SMILES notation for 4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol?
The canonical SMILES for 4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol is CCC1(COc2ccc(-c3ccc(OCCCCCCCCOc4ccc(O)cc4)cc3)cc2)COC1.
What is the InChIKey of 4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol?
The InChIKey is AVEUKQZVPICPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O5/c1-2-32(23-34-24-32)25-37-31-17-11-27(12-18-31)26-9-15-29(16-10-26)35-21-7-5-3-4-6-8-22-36-30-19-13-28(33)14-20-30/h9-20,33H,2-8,21-25H2,1H3.
What are the key properties of 4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol?
4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol has a molecular weight of 504.67 g/mol, XLogP of 7.66, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol is sourced from PubChem (CID 59711338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).