1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol

C17H17Cl2FO — CID 64769319

IUPAC1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2FO/c1-17(2,11-6-8-12(20)9-7-11)16(21)10-13-14(18)4-3-5-15(13)19/h3-9,16,21H,10H2,1-2H3
InChIKeyCSMMUZMSGOZNOC-UHFFFAOYSA-N
MW327.23 g/mol
LogP5.01
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol

1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol (PubChem CID 64769319) has the molecular formula C17H17Cl2FO and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
PubChem CID64769319
Molecular FormulaC17H17Cl2FO
Molecular Weight327.23 g/mol
Exact Mass326.06
IUPAC Name1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2FO/c1-17(2,11-6-8-12(20)9-7-11)16(21)10-13-14(18)4-3-5-15(13)19/h3-9,16,21H,10H2,1-2H3
InChIKeyCSMMUZMSGOZNOC-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.23
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 102617981
1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64770114
3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol
CID 64769125
2-(4-fluorophenyl)-2-methylhept-6-yn-3-ol
CID 64769916
2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol
CID 64768744
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79064295
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-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol
CID 79061239
1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine
CID 63420080
[1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 105223616
3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol
CID 82870006

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol (CID 64769319) is 1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol is CC(C)(c1ccc(F)cc1)C(O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The InChIKey is CSMMUZMSGOZNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FO/c1-17(2,11-6-8-12(20)9-7-11)16(21)10-13-14(18)4-3-5-15(13)19/h3-9,16,21H,10H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol has a molecular weight of 327.23 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 64769319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).