2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol

C22H24O2 — CID 70661876

IUPAC2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol
SMILESOc1ccccc1C1CC2C3CC(c4ccccc4O)C(C3)C2C1
InChIInChI=1S/C22H24O2/c23-21-7-3-1-5-15(21)13-9-17-14-11-18(20(12-14)19(17)10-13)16-6-2-4-8-22(16)24/h1-8,13-14,17-20,23-24H,9-12H2
InChIKeyKUYLDBCVYBVSGM-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.03
Rot. Bonds2

About 2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol

2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol (PubChem CID 70661876) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol.

Molecular Properties

Compound Name2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol
PubChem CID70661876
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol
SMILESOc1ccccc1C1CC2C3CC(c4ccccc4O)C(C3)C2C1
InChIInChI=1S/C22H24O2/c23-21-7-3-1-5-15(21)13-9-17-14-11-18(20(12-14)19(17)10-13)16-6-2-4-8-22(16)24/h1-8,13-14,17-20,23-24H,9-12H2
InChIKeyKUYLDBCVYBVSGM-UHFFFAOYSA-N
XLogP5.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol?
The IUPAC name of 2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol (CID 70661876) is 2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol.
What is the SMILES notation for 2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol?
The canonical SMILES for 2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol is Oc1ccccc1C1CC2C3CC(c4ccccc4O)C(C3)C2C1.
What is the InChIKey of 2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol?
The InChIKey is KUYLDBCVYBVSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c23-21-7-3-1-5-15(21)13-9-17-14-11-18(20(12-14)19(17)10-13)16-6-2-4-8-22(16)24/h1-8,13-14,17-20,23-24H,9-12H2.
What are the key properties of 2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol?
2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol has a molecular weight of 320.43 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol is sourced from PubChem (CID 70661876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).