(E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol

C16H12ClF3O — CID 73333033

IUPAC(E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESO[C@H](/C=C/c1ccccc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClF3O/c17-13-8-5-12(6-9-13)15(21)10-7-11-3-1-2-4-14(11)16(18,19)20/h1-10,15,21H/b10-7+/t15-/m1/s1
InChIKeyNFNOCEJQTDULFP-JOZWUWCOSA-N
MW312.72 g/mol
LogP5.11
Rot. Bonds3

About (E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol

(E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol (PubChem CID 73333033) has the molecular formula C16H12ClF3O and a molecular weight of 312.72 g/mol. Its IUPAC name is (E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
PubChem CID73333033
Molecular FormulaC16H12ClF3O
Molecular Weight312.72 g/mol
Exact Mass312.05
IUPAC Name(E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESO[C@H](/C=C/c1ccccc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClF3O/c17-13-8-5-12(6-9-13)15(21)10-7-11-3-1-2-4-14(11)16(18,19)20/h1-10,15,21H/b10-7+/t15-/m1/s1
InChIKeyNFNOCEJQTDULFP-JOZWUWCOSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.72
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]-2-(trifluoromethyl)benzene
CID 68562385
(Z)-2-[2-(trifluoromethyl)phenyl]ethenesulfonyl chloride
CID 117265967
1-[(Z)-prop-1-enyl]-2-(trifluoromethyl)benzene
CID 143260561
(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 19876981
(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 54775943
4-chloro-2-[3-[2-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoic acid
CID 54441739
N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 6079733
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-ol
CID 102227876
3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 70428934
(E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 8832351
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 62801811
4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 1349846

Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol (CID 73333033) is (E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol is O[C@H](/C=C/c1ccccc1C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of (E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The InChIKey is NFNOCEJQTDULFP-JOZWUWCOSA-N. The full InChI is InChI=1S/C16H12ClF3O/c17-13-8-5-12(6-9-13)15(21)10-7-11-3-1-2-4-14(11)16(18,19)20/h1-10,15,21H/b10-7+/t15-/m1/s1.
What are the key properties of (E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol?
(E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol has a molecular weight of 312.72 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 73333033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).