3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

C16H14ClF3O — CID 116696177

IUPAC3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESOC(CCCl)(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14ClF3O/c17-11-10-15(21,12-4-2-1-3-5-12)13-6-8-14(9-7-13)16(18,19)20/h1-9,21H,10-11H2
InChIKeySONPHURQQKZMBH-UHFFFAOYSA-N
MW314.73 g/mol
LogP4.57
Rot. Bonds4

About 3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 116696177) has the molecular formula C16H14ClF3O and a molecular weight of 314.73 g/mol. Its IUPAC name is 3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID116696177
Molecular FormulaC16H14ClF3O
Molecular Weight314.73 g/mol
Exact Mass314.07
IUPAC Name3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESOC(CCCl)(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14ClF3O/c17-11-10-15(21,12-4-2-1-3-5-12)13-6-8-14(9-7-13)16(18,19)20/h1-9,21H,10-11H2
InChIKeySONPHURQQKZMBH-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
1-amino-3-chloro-1-phenylpropan-1-ol
CID 175404294
1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 15527575
3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol
CID 116696426
3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol
CID 116696320
3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol
CID 116696421
3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol
CID 116696208
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol
CID 116696329
(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
CID 71352218
ethane;bis(trifluoromethylbenzene)
CID 142912000

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 116696177) is 3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is OC(CCCl)(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is SONPHURQQKZMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3O/c17-11-10-15(21,12-4-2-1-3-5-12)13-6-8-14(9-7-13)16(18,19)20/h1-9,21H,10-11H2.
What are the key properties of 3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 314.73 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 116696177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).