2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol

C19H22O — CID 146533969

IUPAC2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol
SMILESOc1ccccc1CC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C19H22O/c20-17-4-2-1-3-11(17)7-14-9-15-10-16(14)19-13-6-5-12(8-13)18(15)19/h1-6,12-16,18-20H,7-10H2
InChIKeyVBEIJTVFPXRQEI-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.03
Rot. Bonds2

About 2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol

2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol (PubChem CID 146533969) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol.

Molecular Properties

Compound Name2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol
PubChem CID146533969
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol
SMILESOc1ccccc1CC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C19H22O/c20-17-4-2-1-3-11(17)7-14-9-15-10-16(14)19-13-6-5-12(8-13)18(15)19/h1-6,12-16,18-20H,7-10H2
InChIKeyVBEIJTVFPXRQEI-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol?
The IUPAC name of 2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol (CID 146533969) is 2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol.
What is the SMILES notation for 2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol?
The canonical SMILES for 2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol is Oc1ccccc1CC1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol?
The InChIKey is VBEIJTVFPXRQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c20-17-4-2-1-3-11(17)7-14-9-15-10-16(14)19-13-6-5-12(8-13)18(15)19/h1-6,12-16,18-20H,7-10H2.
What are the key properties of 2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol?
2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol has a molecular weight of 266.38 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol is sourced from PubChem (CID 146533969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).