1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol

C17H18ClFO — CID 102617180

IUPAC1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
SMILESCc1ccc(C)c(C(C)(O)Cc2cc(F)ccc2Cl)c1
InChIInChI=1S/C17H18ClFO/c1-11-4-5-12(2)15(8-11)17(3,20)10-13-9-14(19)6-7-16(13)18/h4-9,20H,10H2,1-3H3
InChIKeyKPSRKKXWUZYPBS-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.55
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol

1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol (PubChem CID 102617180) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
PubChem CID102617180
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
SMILESCc1ccc(C)c(C(C)(O)Cc2cc(F)ccc2Cl)c1
InChIInChI=1S/C17H18ClFO/c1-11-4-5-12(2)15(8-11)17(3,20)10-13-9-14(19)6-7-16(13)18/h4-9,20H,10H2,1-3H3
InChIKeyKPSRKKXWUZYPBS-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol (CID 102617180) is 1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol is Cc1ccc(C)c(C(C)(O)Cc2cc(F)ccc2Cl)c1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol?
The InChIKey is KPSRKKXWUZYPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-11-4-5-12(2)15(8-11)17(3,20)10-13-9-14(19)6-7-16(13)18/h4-9,20H,10H2,1-3H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol?
1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol has a molecular weight of 292.78 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 102617180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).