(3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol

C19H25FO — CID 79998019

IUPAC(3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol
SMILESCC12CC3CC(C)(C1)CC(C(O)c1ccc(F)cc1)(C3)C2
InChIInChI=1S/C19H25FO/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)16(21)14-3-5-15(20)6-4-14/h3-6,13,16,21H,7-12H2,1-2H3
InChIKeyZPWUWTSLOWYTBF-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.86
Rot. Bonds2

About (3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol

(3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol (PubChem CID 79998019) has the molecular formula C19H25FO and a molecular weight of 288.41 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol
PubChem CID79998019
Molecular FormulaC19H25FO
Molecular Weight288.41 g/mol
Exact Mass288.19
IUPAC Name(3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol
SMILESCC12CC3CC(C)(C1)CC(C(O)c1ccc(F)cc1)(C3)C2
InChIInChI=1S/C19H25FO/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)16(21)14-3-5-15(20)6-4-14/h3-6,13,16,21H,7-12H2,1-2H3
InChIKeyZPWUWTSLOWYTBF-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dimethylphenyl)-(3-methyl-1-adamantyl)methanol
CID 114979753
1-[chloro-(4-methylphenyl)methyl]-3,5-dimethyladamantane
CID 79998908
2,3-dihydrofuran-5-yl-(3,5-dimethyl-1-adamantyl)methanol
CID 102653846
(4-fluorophenyl)-(2-methyloxiran-2-yl)methanol
CID 139349129
furan-3-yl-(3-methyl-1-adamantyl)methanol
CID 115797378
(2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol
CID 114978827
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol
CID 97035266
1-[chloro-(4-fluorophenyl)methyl]adamantane
CID 63428604
(S)-1-adamantyl-(4-aminophenyl)methanol
CID 139076507
1-adamantyl-(4-chlorophenyl)methanol
CID 55186220
(3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine
CID 105016628
1-adamantyl-(2,5-difluorophenyl)methanol
CID 63410694

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol (CID 79998019) is (3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol is CC12CC3CC(C)(C1)CC(C(O)c1ccc(F)cc1)(C3)C2.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol?
The InChIKey is ZPWUWTSLOWYTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FO/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)16(21)14-3-5-15(20)6-4-14/h3-6,13,16,21H,7-12H2,1-2H3.
What are the key properties of (3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol?
(3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol has a molecular weight of 288.41 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 79998019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).