4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol

C23H24O2 — CID 10914566

IUPAC4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H24O2/c24-20-5-1-16(2-6-20)22(17-3-7-21(25)8-4-17)23-18-10-14-9-15(12-18)13-19(23)11-14/h1-8,14-15,18-19,24-25H,9-13H2
InChIKeyYJEWKPAUMRNEES-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.36
Rot. Bonds2

About 4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol

4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol (PubChem CID 10914566) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol
PubChem CID10914566
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H24O2/c24-20-5-1-16(2-6-20)22(17-3-7-21(25)8-4-17)23-18-10-14-9-15(12-18)13-19(23)11-14/h1-8,14-15,18-19,24-25H,9-13H2
InChIKeyYJEWKPAUMRNEES-UHFFFAOYSA-N
XLogP5.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol (CID 10914566) is 4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol is Oc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is YJEWKPAUMRNEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c24-20-5-1-16(2-6-20)22(17-3-7-21(25)8-4-17)23-18-10-14-9-15(12-18)13-19(23)11-14/h1-8,14-15,18-19,24-25H,9-13H2.
What are the key properties of 4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol?
4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 332.44 g/mol, XLogP of 5.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 10914566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).