(4-phenylphenyl) 4-but-3-enylbenzoate

C23H20O2 — CID 19972225

IUPAC(4-phenylphenyl) 4-but-3-enylbenzoate
SMILESC=CCCc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20O2/c1-2-3-7-18-10-12-21(13-11-18)23(24)25-22-16-14-20(15-17-22)19-8-5-4-6-9-19/h2,4-6,8-17H,1,3,7H2
InChIKeyFTTNLRSLEKHEGK-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.69
Rot. Bonds6

About (4-phenylphenyl) 4-but-3-enylbenzoate

(4-phenylphenyl) 4-but-3-enylbenzoate (PubChem CID 19972225) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is (4-phenylphenyl) 4-but-3-enylbenzoate.

Molecular Properties

Compound Name(4-phenylphenyl) 4-but-3-enylbenzoate
PubChem CID19972225
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name(4-phenylphenyl) 4-but-3-enylbenzoate
SMILESC=CCCc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20O2/c1-2-3-7-18-10-12-21(13-11-18)23(24)25-22-16-14-20(15-17-22)19-8-5-4-6-9-19/h2,4-6,8-17H,1,3,7H2
InChIKeyFTTNLRSLEKHEGK-UHFFFAOYSA-N
XLogP5.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-but-3-enylphenyl)phenyl] 4-but-3-enyl-3-fluorobenzoate
CID 126610402
[4-(4-propylphenyl)phenyl] 4-propylbenzoate
CID 54214420
(4-butylphenyl) 4-hex-5-enylbenzoate
CID 19972212
(4-phenylmethoxycarbonylphenyl) 4-phenylbenzoate
CID 19181931
iodo 4-but-3-enylbenzoate
CID 163491431
[4-(prop-2-enoyloxymethyl)phenyl] 4-[4-(prop-2-enoyloxymethyl)phenyl]benzoate
CID 58471422
[4-[4-[3-[4-[4-(4-butylbenzoyl)oxybenzoyl]oxyphenyl]phenyl]phenoxy]carbonylphenyl] 4-butylbenzoate
CID 58084959
[4-[4-[(E)-oct-3-enyl]phenyl]phenyl] 4-[(E)-dec-5-enyl]benzoate
CID 126610227
bis[4-(4-phenylphenoxy)carbonylphenyl] undecanedioate
CID 100930737
(4-phenylphenyl) 4-(trifluoromethoxy)benzoate
CID 7926515
(4-hexylphenyl) 4-(4-pentylphenyl)benzoate
CID 54371034
[4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17160391

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 4-but-3-enylbenzoate?
The IUPAC name of (4-phenylphenyl) 4-but-3-enylbenzoate (CID 19972225) is (4-phenylphenyl) 4-but-3-enylbenzoate.
What is the SMILES notation for (4-phenylphenyl) 4-but-3-enylbenzoate?
The canonical SMILES for (4-phenylphenyl) 4-but-3-enylbenzoate is C=CCCc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenylphenyl) 4-but-3-enylbenzoate?
The InChIKey is FTTNLRSLEKHEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-2-3-7-18-10-12-21(13-11-18)23(24)25-22-16-14-20(15-17-22)19-8-5-4-6-9-19/h2,4-6,8-17H,1,3,7H2.
What are the key properties of (4-phenylphenyl) 4-but-3-enylbenzoate?
(4-phenylphenyl) 4-but-3-enylbenzoate has a molecular weight of 328.41 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 4-but-3-enylbenzoate is sourced from PubChem (CID 19972225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).