4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid

C26H19FO3 — CID 67336682

IUPAC4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2)cc1/C=C/Cc1ccc2cccc(O)c2c1
InChIInChI=1S/C26H19FO3/c27-22-12-9-18(10-13-22)20-11-14-23(26(29)30)21(16-20)5-1-3-17-7-8-19-4-2-6-25(28)24(19)15-17/h1-2,4-16,28H,3H2,(H,29,30)/b5-1+
InChIKeyONGDORKIUXEQIG-ORCRQEGFSA-N
MW398.43 g/mol
LogP6.31
Rot. Bonds5

About 4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid

4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid (PubChem CID 67336682) has the molecular formula C26H19FO3 and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid
PubChem CID67336682
Molecular FormulaC26H19FO3
Molecular Weight398.43 g/mol
Exact Mass398.13
IUPAC Name4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2)cc1/C=C/Cc1ccc2cccc(O)c2c1
InChIInChI=1S/C26H19FO3/c27-22-12-9-18(10-13-22)20-11-14-23(26(29)30)21(16-20)5-1-3-17-7-8-19-4-2-6-25(28)24(19)15-17/h1-2,4-16,28H,3H2,(H,29,30)/b5-1+
InChIKeyONGDORKIUXEQIG-ORCRQEGFSA-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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Related Compounds

4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid
CID 67335312
4-(4-fluorophenyl)-2-[4-(6-hydroxynaphthalen-1-yl)but-1-enyl]benzoic acid
CID 67335582
2-bromo-5-[2-[2-carboxy-5-(4-fluorophenyl)phenyl]ethenyl]benzoic acid
CID 67335570
4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid
CID 67337874
2-(4-chlorobut-1-enyl)-4-fluorobenzoic acid
CID 170499388
4-(4-fluorophenyl)-2-[3-(6-hydroxynaphthalen-2-yl)propyl]benzoic acid
CID 67336352
2-[(E)-2-(4-cyclohexylphenyl)ethenyl]-4-(4-fluorophenyl)benzoic acid
CID 67336104
4-(4-fluorophenyl)-2-methylbenzoic acid
CID 46314576
2-hydroxy-4-naphthalen-2-ylbenzoic acid
CID 53226801
3,7-bis(prop-2-enyl)naphthalene-1-carboxylic acid
CID 139984857
2-(4-acetylsulfanylbut-1-enyl)-4-fluorobenzoic acid
CID 170480370
3-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 75177398

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid?
The IUPAC name of 4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid (CID 67336682) is 4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid is O=C(O)c1ccc(-c2ccc(F)cc2)cc1/C=C/Cc1ccc2cccc(O)c2c1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid?
The InChIKey is ONGDORKIUXEQIG-ORCRQEGFSA-N. The full InChI is InChI=1S/C26H19FO3/c27-22-12-9-18(10-13-22)20-11-14-23(26(29)30)21(16-20)5-1-3-17-7-8-19-4-2-6-25(28)24(19)15-17/h1-2,4-16,28H,3H2,(H,29,30)/b5-1+.
What are the key properties of 4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid?
4-(4-fluorophenyl)-2-[(E)-3-(8-hydroxynaphthalen-2-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-(8-hydroxynaphthalen-2-yl)prop-1-enyl]benzoic acid is sourced from PubChem (CID 67336682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).