2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol

C17H15F3O2 — CID 11185909

IUPAC2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol
SMILESCCCc1c(O)cc(/C=C/c2c(F)cc(F)cc2F)cc1O
InChIInChI=1S/C17H15F3O2/c1-2-3-13-16(21)6-10(7-17(13)22)4-5-12-14(19)8-11(18)9-15(12)20/h4-9,21-22H,2-3H2,1H3/b5-4+
InChIKeyFZPNZGZXJHKVPQ-SNAWJCMRSA-N
MW308.30 g/mol
LogP4.64
Rot. Bonds4

About 2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol

2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol (PubChem CID 11185909) has the molecular formula C17H15F3O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol
PubChem CID11185909
Molecular FormulaC17H15F3O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol
SMILESCCCc1c(O)cc(/C=C/c2c(F)cc(F)cc2F)cc1O
InChIInChI=1S/C17H15F3O2/c1-2-3-13-16(21)6-10(7-17(13)22)4-5-12-14(19)8-11(18)9-15(12)20/h4-9,21-22H,2-3H2,1H3/b5-4+
InChIKeyFZPNZGZXJHKVPQ-SNAWJCMRSA-N
XLogP4.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol (CID 11185909) is 2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol is CCCc1c(O)cc(/C=C/c2c(F)cc(F)cc2F)cc1O.
What is the InChIKey of 2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol?
The InChIKey is FZPNZGZXJHKVPQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H15F3O2/c1-2-3-13-16(21)6-10(7-17(13)22)4-5-12-14(19)8-11(18)9-15(12)20/h4-9,21-22H,2-3H2,1H3/b5-4+.
What are the key properties of 2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol?
2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol has a molecular weight of 308.30 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[(E)-2-(2,4,6-trifluorophenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 11185909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).