prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate

C30H34O6 — CID 10917976

IUPACprop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate
SMILESC=CCOC(=O)c1ccc(OCC(O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C30H34O6/c1-2-20-34-30(32)25-12-14-28(15-13-25)35-22-26(31)23-36-29-18-16-27(17-19-29)33-21-8-4-7-11-24-9-5-3-6-10-24/h2-3,5-6,9-10,12-19,26,31H,1,4,7-8,11,20-23H2
InChIKeyQSVSNTIGOBTXFM-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.64
Rot. Bonds16

About prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate

prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate (PubChem CID 10917976) has the molecular formula C30H34O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate.

Molecular Properties

Compound Nameprop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate
PubChem CID10917976
Molecular FormulaC30H34O6
Molecular Weight490.60 g/mol
Exact Mass490.24
IUPAC Nameprop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate
SMILESC=CCOC(=O)c1ccc(OCC(O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C30H34O6/c1-2-20-34-30(32)25-12-14-28(15-13-25)35-22-26(31)23-36-29-18-16-27(17-19-29)33-21-8-4-7-11-24-9-5-3-6-10-24/h2-3,5-6,9-10,12-19,26,31H,1,4,7-8,11,20-23H2
InChIKeyQSVSNTIGOBTXFM-UHFFFAOYSA-N
XLogP5.64
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-phenylpentoxy)benzamide
CID 142267536
4-(4-phenylbutoxy)benzamide
CID 11963163
(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate
CID 59866995
5-[4-(5-benzoyloxypentoxy)phenoxy]pentyl benzoate
CID 139725792
prop-2-enyl 4-(aminomethoxy)benzoate
CID 156663143
8-(4-benzoylperoxycarbonylphenoxy)octyl prop-2-enoate
CID 150942028
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
[4-[6-[4-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenoxy]methoxy]phenyl]phenoxy]hexoxycarbonyl]phenyl] 4-(6-prop-2-enoyloxyhexyl)benzoate
CID 20724288
ethyl 4-[2-hydroxy-3-[methyl(3-phenoxypropyl)amino]propoxy]benzoate
CID 55648671
[4-(6-prop-2-enoyloxyhexoxy)benzoyl] 4-phenylbenzoate
CID 174791572
[4-[4-(4-benzoyloxybutoxy)benzoyl]oxyphenyl] 4-(6-benzoyloxyhexoxy)benzoate
CID 67688092
(E)-3-[4-[8-(4-ethenylphenyl)octoxy]phenyl]-1-phenylprop-2-en-1-one
CID 22026801

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate?
The IUPAC name of prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate (CID 10917976) is prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate.
What is the SMILES notation for prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate?
The canonical SMILES for prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate is C=CCOC(=O)c1ccc(OCC(O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1.
What is the InChIKey of prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate?
The InChIKey is QSVSNTIGOBTXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O6/c1-2-20-34-30(32)25-12-14-28(15-13-25)35-22-26(31)23-36-29-18-16-27(17-19-29)33-21-8-4-7-11-24-9-5-3-6-10-24/h2-3,5-6,9-10,12-19,26,31H,1,4,7-8,11,20-23H2.
What are the key properties of prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate?
prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate has a molecular weight of 490.60 g/mol, XLogP of 5.64, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoate is sourced from PubChem (CID 10917976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).