1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol

C16H15Cl2FO — CID 114833275

IUPAC1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1cccc(F)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2FO/c1-16(20,9-11-3-2-4-14(19)7-11)10-12-5-6-13(17)8-15(12)18/h2-8,20H,9-10H2,1H3
InChIKeyVHBFAHXORZYOTL-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.67
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 114833275) has the molecular formula C16H15Cl2FO and a molecular weight of 313.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
PubChem CID114833275
Molecular FormulaC16H15Cl2FO
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1cccc(F)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2FO/c1-16(20,9-11-3-2-4-14(19)7-11)10-12-5-6-13(17)8-15(12)18/h2-8,20H,9-10H2,1H3
InChIKeyVHBFAHXORZYOTL-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833346
1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832677
2-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)propanoic acid
CID 60793636
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 114833348
1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833364
1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66039611
1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol
CID 66039362
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
1-(3-fluorophenyl)-2,3-dimethylbut-3-en-2-ol
CID 114833422

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol (CID 114833275) is 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol is CC(O)(Cc1cccc(F)c1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is VHBFAHXORZYOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FO/c1-16(20,9-11-3-2-4-14(19)7-11)10-12-5-6-13(17)8-15(12)18/h2-8,20H,9-10H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 313.20 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 114833275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).