4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol

C34H36O4 — CID 23227246

IUPAC4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)CC3CC2C2CCCC32)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C22H24O2.2C6H6O/c23-17-8-4-15(5-9-17)22(16-6-10-18(24)11-7-16)13-14-12-21(22)20-3-1-2-19(14)20;2*7-6-4-2-1-3-5-6/h4-11,14,19-21,23-24H,1-3,12-13H2;2*1-5,7H
InChIKeyKMYMEPCFBQEJGT-UHFFFAOYSA-N
MW508.66 g/mol
LogP7.62
Rot. Bonds2

About 4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol

4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol (PubChem CID 23227246) has the molecular formula C34H36O4 and a molecular weight of 508.66 g/mol. Its IUPAC name is 4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol.

Molecular Properties

Compound Name4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol
PubChem CID23227246
Molecular FormulaC34H36O4
Molecular Weight508.66 g/mol
Exact Mass508.26
IUPAC Name4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)CC3CC2C2CCCC32)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C22H24O2.2C6H6O/c23-17-8-4-15(5-9-17)22(16-6-10-18(24)11-7-16)13-14-12-21(22)20-3-1-2-19(14)20;2*7-6-4-2-1-3-5-6/h4-11,14,19-21,23-24H,1-3,12-13H2;2*1-5,7H
InChIKeyKMYMEPCFBQEJGT-UHFFFAOYSA-N
XLogP7.62
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 57.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol?
The IUPAC name of 4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol (CID 23227246) is 4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol.
What is the SMILES notation for 4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol?
The canonical SMILES for 4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol is Oc1ccc(C2(c3ccc(O)cc3)CC3CC2C2CCCC32)cc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of 4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol?
The InChIKey is KMYMEPCFBQEJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2.2C6H6O/c23-17-8-4-15(5-9-17)22(16-6-10-18(24)11-7-16)13-14-12-21(22)20-3-1-2-19(14)20;2*7-6-4-2-1-3-5-6/h4-11,14,19-21,23-24H,1-3,12-13H2;2*1-5,7H.
What are the key properties of 4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol?
4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol has a molecular weight of 508.66 g/mol, XLogP of 7.62, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol is sourced from PubChem (CID 23227246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).