4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid

C26H19FO3 — CID 67335312

IUPAC4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2)cc1/C=C/Cc1cccc2ccc(O)cc12
InChIInChI=1S/C26H19FO3/c27-22-11-7-17(8-12-22)20-10-14-24(26(29)30)21(15-20)6-2-4-18-3-1-5-19-9-13-23(28)16-25(18)19/h1-3,5-16,28H,4H2,(H,29,30)/b6-2+
InChIKeyQTZWGFLOVYYBMY-QHHAFSJGSA-N
MW398.43 g/mol
LogP6.31
Rot. Bonds5

About 4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid

4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid (PubChem CID 67335312) has the molecular formula C26H19FO3 and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid
PubChem CID67335312
Molecular FormulaC26H19FO3
Molecular Weight398.43 g/mol
Exact Mass398.13
IUPAC Name4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2)cc1/C=C/Cc1cccc2ccc(O)cc12
InChIInChI=1S/C26H19FO3/c27-22-11-7-17(8-12-22)20-10-14-24(26(29)30)21(15-20)6-2-4-18-3-1-5-19-9-13-23(28)16-25(18)19/h1-3,5-16,28H,4H2,(H,29,30)/b6-2+
InChIKeyQTZWGFLOVYYBMY-QHHAFSJGSA-N
XLogP6.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid?
The IUPAC name of 4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid (CID 67335312) is 4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid is O=C(O)c1ccc(-c2ccc(F)cc2)cc1/C=C/Cc1cccc2ccc(O)cc12.
What is the InChIKey of 4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid?
The InChIKey is QTZWGFLOVYYBMY-QHHAFSJGSA-N. The full InChI is InChI=1S/C26H19FO3/c27-22-11-7-17(8-12-22)20-10-14-24(26(29)30)21(15-20)6-2-4-18-3-1-5-19-9-13-23(28)16-25(18)19/h1-3,5-16,28H,4H2,(H,29,30)/b6-2+.
What are the key properties of 4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid?
4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid has a molecular weight of 398.43 g/mol, XLogP of 6.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid is sourced from PubChem (CID 67335312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).