4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol

C16H13F3O — CID 44563805

IUPAC4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol
SMILESC/C(=C\c1ccc(C(F)(F)F)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H13F3O/c1-11(13-4-8-15(20)9-5-13)10-12-2-6-14(7-3-12)16(17,18)19/h2-10,20H,1H3/b11-10+
InChIKeyCBPIQQDZRVMUPW-ZHACJKMWSA-N
MW278.27 g/mol
LogP4.97
Rot. Bonds2

About 4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol

4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol (PubChem CID 44563805) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol.

Molecular Properties

Compound Name4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol
PubChem CID44563805
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol
SMILESC/C(=C\c1ccc(C(F)(F)F)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H13F3O/c1-11(13-4-8-15(20)9-5-13)10-12-2-6-14(7-3-12)16(17,18)19/h2-10,20H,1H3/b11-10+
InChIKeyCBPIQQDZRVMUPW-ZHACJKMWSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol?
The IUPAC name of 4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol (CID 44563805) is 4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol.
What is the SMILES notation for 4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol?
The canonical SMILES for 4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol is C/C(=C\c1ccc(C(F)(F)F)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol?
The InChIKey is CBPIQQDZRVMUPW-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H13F3O/c1-11(13-4-8-15(20)9-5-13)10-12-2-6-14(7-3-12)16(17,18)19/h2-10,20H,1H3/b11-10+.
What are the key properties of 4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol?
4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol has a molecular weight of 278.27 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]phenol is sourced from PubChem (CID 44563805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).