4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol

C22H24O2 — CID 67606453

IUPAC4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol
SMILESCc1cc(C(c2ccc(O)c(C)c2)C2CC3C=CC2C3)ccc1O
InChIInChI=1S/C22H24O2/c1-13-9-17(5-7-20(13)23)22(18-6-8-21(24)14(2)10-18)19-12-15-3-4-16(19)11-15/h3-10,15-16,19,22-24H,11-12H2,1-2H3
InChIKeyRLEVYVGYOWNLAX-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.06
Rot. Bonds3

About 4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol

4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol (PubChem CID 67606453) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol.

Molecular Properties

Compound Name4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol
PubChem CID67606453
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol
SMILESCc1cc(C(c2ccc(O)c(C)c2)C2CC3C=CC2C3)ccc1O
InChIInChI=1S/C22H24O2/c1-13-9-17(5-7-20(13)23)22(18-6-8-21(24)14(2)10-18)19-12-15-3-4-16(19)11-15/h3-10,15-16,19,22-24H,11-12H2,1-2H3
InChIKeyRLEVYVGYOWNLAX-UHFFFAOYSA-N
XLogP5.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol?
The IUPAC name of 4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol (CID 67606453) is 4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol.
What is the SMILES notation for 4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol?
The canonical SMILES for 4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol is Cc1cc(C(c2ccc(O)c(C)c2)C2CC3C=CC2C3)ccc1O.
What is the InChIKey of 4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol?
The InChIKey is RLEVYVGYOWNLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c1-13-9-17(5-7-20(13)23)22(18-6-8-21(24)14(2)10-18)19-12-15-3-4-16(19)11-15/h3-10,15-16,19,22-24H,11-12H2,1-2H3.
What are the key properties of 4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol?
4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol has a molecular weight of 320.43 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bicyclo[2.2.1]hept-5-enyl-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol is sourced from PubChem (CID 67606453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).