4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol

C22H24O2 — CID 11887854

IUPAC4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)C[C@@H]3C[C@H]2[C@H]2CCC[C@H]32)cc1
InChIInChI=1S/C22H24O2/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/h4-11,14,19-21,23-24H,1-3,12-13H2/t14-,19+,20-,21-/m0/s1
InChIKeyWWCSTJWKTAXUGJ-MGNXDGSBSA-N
MW320.43 g/mol
LogP4.84
Rot. Bonds2

About 4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol

4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol (PubChem CID 11887854) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol.

Molecular Properties

Compound Name4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol
PubChem CID11887854
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)C[C@@H]3C[C@H]2[C@H]2CCC[C@H]32)cc1
InChIInChI=1S/C22H24O2/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/h4-11,14,19-21,23-24H,1-3,12-13H2/t14-,19+,20-,21-/m0/s1
InChIKeyWWCSTJWKTAXUGJ-MGNXDGSBSA-N
XLogP4.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol?
The IUPAC name of 4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol (CID 11887854) is 4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol.
What is the SMILES notation for 4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol?
The canonical SMILES for 4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol is Oc1ccc(C2(c3ccc(O)cc3)C[C@@H]3C[C@H]2[C@H]2CCC[C@H]32)cc1.
What is the InChIKey of 4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol?
The InChIKey is WWCSTJWKTAXUGJ-MGNXDGSBSA-N. The full InChI is InChI=1S/C22H24O2/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/h4-11,14,19-21,23-24H,1-3,12-13H2/t14-,19+,20-,21-/m0/s1.
What are the key properties of 4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol?
4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol has a molecular weight of 320.43 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R,6S,7S)-8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol is sourced from PubChem (CID 11887854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).