2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol

C19H25FO — CID 81100258

IUPAC2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol
SMILESCc1cc(C(O)C2C3CC4CC(C3)CC2C4)cc(C)c1F
InChIInChI=1S/C19H25FO/c1-10-3-16(4-11(2)18(10)20)19(21)17-14-6-12-5-13(8-14)9-15(17)7-12/h3-4,12-15,17,19,21H,5-9H2,1-2H3
InChIKeyBTBXYEYVAVVHEE-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.55
Rot. Bonds2

About 2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol

2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol (PubChem CID 81100258) has the molecular formula C19H25FO and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol
PubChem CID81100258
Molecular FormulaC19H25FO
Molecular Weight288.41 g/mol
Exact Mass288.19
IUPAC Name2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol
SMILESCc1cc(C(O)C2C3CC4CC(C3)CC2C4)cc(C)c1F
InChIInChI=1S/C19H25FO/c1-10-3-16(4-11(2)18(10)20)19(21)17-14-6-12-5-13(8-14)9-15(17)7-12/h3-4,12-15,17,19,21H,5-9H2,1-2H3
InChIKeyBTBXYEYVAVVHEE-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol?
The IUPAC name of 2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol (CID 81100258) is 2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol.
What is the SMILES notation for 2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol?
The canonical SMILES for 2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol is Cc1cc(C(O)C2C3CC4CC(C3)CC2C4)cc(C)c1F.
What is the InChIKey of 2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol?
The InChIKey is BTBXYEYVAVVHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FO/c1-10-3-16(4-11(2)18(10)20)19(21)17-14-6-12-5-13(8-14)9-15(17)7-12/h3-4,12-15,17,19,21H,5-9H2,1-2H3.
What are the key properties of 2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol?
2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol has a molecular weight of 288.41 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol is sourced from PubChem (CID 81100258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).