but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate

C30H24O5 — CID 67700416

IUPACbut-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate
SMILESC=CC(C)OC(=O)c1ccccc1-c1ccc(-c2ccc(OC(=O)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C30H24O5/c1-3-20(2)34-30(33)28-7-5-4-6-27(28)23-10-8-21(9-11-23)22-14-18-26(19-15-22)35-29(32)24-12-16-25(31)17-13-24/h3-20,31H,1H2,2H3
InChIKeySNQZVPPUERRWRI-UHFFFAOYSA-N
MW464.52 g/mol
LogP6.68
Rot. Bonds7

About but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate

but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate (PubChem CID 67700416) has the molecular formula C30H24O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate.

Molecular Properties

Compound Namebut-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate
PubChem CID67700416
Molecular FormulaC30H24O5
Molecular Weight464.52 g/mol
Exact Mass464.16
IUPAC Namebut-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate
SMILESC=CC(C)OC(=O)c1ccccc1-c1ccc(-c2ccc(OC(=O)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C30H24O5/c1-3-20(2)34-30(33)28-7-5-4-6-27(28)23-10-8-21(9-11-23)22-14-18-26(19-15-22)35-29(32)24-12-16-25(31)17-13-24/h3-20,31H,1H2,2H3
InChIKeySNQZVPPUERRWRI-UHFFFAOYSA-N
XLogP6.68
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
[4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate
CID 89317198
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
CID 54018499
4-but-3-en-2-yloxycarbonylbenzoic acid
CID 54316715
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid
CID 67898543
propan-2-yl 4-(2-carbamoylphenyl)benzoate
CID 70179260
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate?
The IUPAC name of but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate (CID 67700416) is but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate.
What is the SMILES notation for but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate?
The canonical SMILES for but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate is C=CC(C)OC(=O)c1ccccc1-c1ccc(-c2ccc(OC(=O)c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate?
The InChIKey is SNQZVPPUERRWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O5/c1-3-20(2)34-30(33)28-7-5-4-6-27(28)23-10-8-21(9-11-23)22-14-18-26(19-15-22)35-29(32)24-12-16-25(31)17-13-24/h3-20,31H,1H2,2H3.
What are the key properties of but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate?
but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate has a molecular weight of 464.52 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate is sourced from PubChem (CID 67700416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).