3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol

C18H21FO — CID 64769125

IUPAC3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol
SMILESCc1ccc(CC(O)C(C)(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FO/c1-13-4-6-14(7-5-13)12-17(20)18(2,3)15-8-10-16(19)11-9-15/h4-11,17,20H,12H2,1-3H3
InChIKeyXTBPMUKDHHOQDL-UHFFFAOYSA-N
MW272.36 g/mol
LogP4.02
Rot. Bonds4

About 3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol

3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol (PubChem CID 64769125) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol
PubChem CID64769125
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol
SMILESCc1ccc(CC(O)C(C)(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FO/c1-13-4-6-14(7-5-13)12-17(20)18(2,3)15-8-10-16(19)11-9-15/h4-11,17,20H,12H2,1-3H3
InChIKeyXTBPMUKDHHOQDL-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769134
1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64770114
3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine
CID 64767776
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629
1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769319
2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol
CID 64768744
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 102617981
1-(4-ethylphenyl)-3-methyl-3-phenylbutan-2-ol
CID 63085891
3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79824785
7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol
CID 115516102
1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol
CID 63083837
2-(4-fluorophenyl)-2-methylhept-6-yn-3-ol
CID 64769916

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol?
The IUPAC name of 3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol (CID 64769125) is 3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol?
The canonical SMILES for 3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol is Cc1ccc(CC(O)C(C)(C)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol?
The InChIKey is XTBPMUKDHHOQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-13-4-6-14(7-5-13)12-17(20)18(2,3)15-8-10-16(19)11-9-15/h4-11,17,20H,12H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol?
3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol has a molecular weight of 272.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol is sourced from PubChem (CID 64769125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).