2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol

C26H32O4 — CID 18427155

IUPAC2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)cc3)CC3CC2C2CCCC32)cc1
InChIInChI=1S/C26H32O4/c27-12-14-29-21-8-4-19(5-9-21)26(20-6-10-22(11-7-20)30-15-13-28)17-18-16-25(26)24-3-1-2-23(18)24/h4-11,18,23-25,27-28H,1-3,12-17H2
InChIKeyXOLXPZNXLQIMJN-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.17
Rot. Bonds8

About 2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol

2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol (PubChem CID 18427155) has the molecular formula C26H32O4 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol
PubChem CID18427155
Molecular FormulaC26H32O4
Molecular Weight408.54 g/mol
Exact Mass408.23
IUPAC Name2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)cc3)CC3CC2C2CCCC32)cc1
InChIInChI=1S/C26H32O4/c27-12-14-29-21-8-4-19(5-9-21)26(20-6-10-22(11-7-20)30-15-13-28)17-18-16-25(26)24-3-1-2-23(18)24/h4-11,18,23-25,27-28H,1-3,12-17H2
InChIKeyXOLXPZNXLQIMJN-UHFFFAOYSA-N
XLogP4.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol (CID 18427155) is 2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol is OCCOc1ccc(C2(c3ccc(OCCO)cc3)CC3CC2C2CCCC32)cc1.
What is the InChIKey of 2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol?
The InChIKey is XOLXPZNXLQIMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O4/c27-12-14-29-21-8-4-19(5-9-21)26(20-6-10-22(11-7-20)30-15-13-28)17-18-16-25(26)24-3-1-2-23(18)24/h4-11,18,23-25,27-28H,1-3,12-17H2.
What are the key properties of 2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol?
2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol has a molecular weight of 408.54 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-[4-(2-hydroxyethoxy)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenoxy]ethanol is sourced from PubChem (CID 18427155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).