4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol

C26H38O2 — CID 68581475

IUPAC4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol
SMILESCCCc1cc(C(C)c2cc(CCC)c(O)c(CCC)c2)cc(CCC)c1O
InChIInChI=1S/C26H38O2/c1-6-10-19-14-23(15-20(11-7-2)25(19)27)18(5)24-16-21(12-8-3)26(28)22(17-24)13-9-4/h14-18,27-28H,6-13H2,1-5H3
InChIKeyFLVSCQAPNRUFGU-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.06
Rot. Bonds10

About 4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol

4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol (PubChem CID 68581475) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol
PubChem CID68581475
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol
SMILESCCCc1cc(C(C)c2cc(CCC)c(O)c(CCC)c2)cc(CCC)c1O
InChIInChI=1S/C26H38O2/c1-6-10-19-14-23(15-20(11-7-2)25(19)27)18(5)24-16-21(12-8-3)26(28)22(17-24)13-9-4/h14-18,27-28H,6-13H2,1-5H3
InChIKeyFLVSCQAPNRUFGU-UHFFFAOYSA-N
XLogP7.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol (CID 68581475) is 4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol is CCCc1cc(C(C)c2cc(CCC)c(O)c(CCC)c2)cc(CCC)c1O.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol?
The InChIKey is FLVSCQAPNRUFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-6-10-19-14-23(15-20(11-7-2)25(19)27)18(5)24-16-21(12-8-3)26(28)22(17-24)13-9-4/h14-18,27-28H,6-13H2,1-5H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol?
4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol has a molecular weight of 382.59 g/mol, XLogP of 7.06, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol is sourced from PubChem (CID 68581475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).