7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol

C26H34O4 — CID 19925698

IUPAC7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol
SMILESCC(C)c1ccc2oc(C(O)COc3ccc(CCCCCCCO)cc3)cc2c1
InChIInChI=1S/C26H34O4/c1-19(2)21-11-14-25-22(16-21)17-26(30-25)24(28)18-29-23-12-9-20(10-13-23)8-6-4-3-5-7-15-27/h9-14,16-17,19,24,27-28H,3-8,15,18H2,1-2H3
InChIKeyOSODDWMNKMXRAP-UHFFFAOYSA-N
MW410.55 g/mol
LogP6.15
Rot. Bonds12

About 7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol

7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol (PubChem CID 19925698) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is 7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol.

Molecular Properties

Compound Name7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol
PubChem CID19925698
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol
SMILESCC(C)c1ccc2oc(C(O)COc3ccc(CCCCCCCO)cc3)cc2c1
InChIInChI=1S/C26H34O4/c1-19(2)21-11-14-25-22(16-21)17-26(30-25)24(28)18-29-23-12-9-20(10-13-23)8-6-4-3-5-7-15-27/h9-14,16-17,19,24,27-28H,3-8,15,18H2,1-2H3
InChIKeyOSODDWMNKMXRAP-UHFFFAOYSA-N
XLogP6.15
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol
CID 170887613
4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol
CID 19925662
2,5-di(propan-2-yl)-1-benzofuran
CID 59835786
methyl 4-[2-(5-chloro-1-benzofuran-2-yl)-2-hydroxyethoxy]benzoate
CID 15337970
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
1-[4-(3-hydroxypropyl)phenoxy]-5-methylhexan-2-ol
CID 147897261
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232
1-(4-pentylphenoxy)propan-2-ol
CID 142276328
(2R)-3-(4-pentadecylphenoxy)propane-1,2-diol
CID 95907091
1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol
CID 62266291
5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78930532
5-[4-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364105

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol?
The IUPAC name of 7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol (CID 19925698) is 7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol.
What is the SMILES notation for 7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol?
The canonical SMILES for 7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol is CC(C)c1ccc2oc(C(O)COc3ccc(CCCCCCCO)cc3)cc2c1.
What is the InChIKey of 7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol?
The InChIKey is OSODDWMNKMXRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O4/c1-19(2)21-11-14-25-22(16-21)17-26(30-25)24(28)18-29-23-12-9-20(10-13-23)8-6-4-3-5-7-15-27/h9-14,16-17,19,24,27-28H,3-8,15,18H2,1-2H3.
What are the key properties of 7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol?
7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol has a molecular weight of 410.55 g/mol, XLogP of 6.15, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-hydroxy-2-(5-propan-2-yl-1-benzofuran-2-yl)ethoxy]phenyl]heptan-1-ol is sourced from PubChem (CID 19925698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).