phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate

C32H30O4 — CID 158903679

IUPACphenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate
SMILESO=C(CCC/C(=C(\c1ccccc1)c1ccc(OCCO)cc1)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C32H30O4/c33-23-24-35-28-21-19-27(20-22-28)32(26-13-6-2-7-14-26)30(25-11-4-1-5-12-25)17-10-18-31(34)36-29-15-8-3-9-16-29/h1-9,11-16,19-22,33H,10,17-18,23-24H2/b32-30-
InChIKeyNWXUHMPHECJQHU-GCUVURNUSA-N
MW478.59 g/mol
LogP6.79
Rot. Bonds11

About phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate

phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate (PubChem CID 158903679) has the molecular formula C32H30O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate.

Molecular Properties

Compound Namephenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate
PubChem CID158903679
Molecular FormulaC32H30O4
Molecular Weight478.59 g/mol
Exact Mass478.21
IUPAC Namephenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate
SMILESO=C(CCC/C(=C(\c1ccccc1)c1ccc(OCCO)cc1)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C32H30O4/c33-23-24-35-28-21-19-27(20-22-28)32(26-13-6-2-7-14-26)30(25-11-4-1-5-12-25)17-10-18-31(34)36-29-15-8-3-9-16-29/h1-9,11-16,19-22,33H,10,17-18,23-24H2/b32-30-
InChIKeyNWXUHMPHECJQHU-GCUVURNUSA-N
XLogP6.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 5-phenoxypentanoate
CID 54534861
4-(9-oxo-9-phenoxynonoxy)benzoic acid
CID 168826259
3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
CID 177306952
4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenol;2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol;propan-1-ol
CID 161238047
[4-[(Z)-5-chloro-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl] 3,3-dimethylbutanoate
CID 11397095
diphenyl nonanedioate
CID 18428919
4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493073
[4-[(Z)-5-chloro-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl] 3-methylbut-3-enoate
CID 89186517
5-(4-bromophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylpent-4-en-1-ol
CID 176731772
5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-fluorophenyl)-4-phenylpent-4-en-1-ol
CID 176731784
4-[3-(4-carboxyphenoxy)-3-oxopropoxy]benzoic acid
CID 57061143
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227

Frequently Asked Questions

What is the IUPAC name of phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate?
The IUPAC name of phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate (CID 158903679) is phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate.
What is the SMILES notation for phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate?
The canonical SMILES for phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate is O=C(CCC/C(=C(\c1ccccc1)c1ccc(OCCO)cc1)c1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate?
The InChIKey is NWXUHMPHECJQHU-GCUVURNUSA-N. The full InChI is InChI=1S/C32H30O4/c33-23-24-35-28-21-19-27(20-22-28)32(26-13-6-2-7-14-26)30(25-11-4-1-5-12-25)17-10-18-31(34)36-29-15-8-3-9-16-29/h1-9,11-16,19-22,33H,10,17-18,23-24H2/b32-30-.
What are the key properties of phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate?
phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate has a molecular weight of 478.59 g/mol, XLogP of 6.79, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate is sourced from PubChem (CID 158903679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).