20-phenylmethoxyicos-10-enoxymethylbenzene

C34H52O2 — CID 54404919

IUPAC20-phenylmethoxyicos-10-enoxymethylbenzene
SMILESC(=CCCCCCCCCCOCc1ccccc1)CCCCCCCCCOCc1ccccc1
InChIInChI=1S/C34H52O2/c1(3-5-7-9-11-13-15-23-29-35-31-33-25-19-17-20-26-33)2-4-6-8-10-12-14-16-24-30-36-32-34-27-21-18-22-28-34/h1-2,17-22,25-28H,3-16,23-24,29-32H2
InChIKeyVPZWOGSUCKEGPA-UHFFFAOYSA-N
MW492.79 g/mol
LogP10.22
Rot. Bonds24

About 20-phenylmethoxyicos-10-enoxymethylbenzene

20-phenylmethoxyicos-10-enoxymethylbenzene (PubChem CID 54404919) has the molecular formula C34H52O2 and a molecular weight of 492.79 g/mol. Its IUPAC name is 20-phenylmethoxyicos-10-enoxymethylbenzene.

Molecular Properties

Compound Name20-phenylmethoxyicos-10-enoxymethylbenzene
PubChem CID54404919
Molecular FormulaC34H52O2
Molecular Weight492.79 g/mol
Exact Mass492.40
IUPAC Name20-phenylmethoxyicos-10-enoxymethylbenzene
SMILESC(=CCCCCCCCCCOCc1ccccc1)CCCCCCCCCOCc1ccccc1
InChIInChI=1S/C34H52O2/c1(3-5-7-9-11-13-15-23-29-35-31-33-25-19-17-20-26-33)2-4-6-8-10-12-14-16-24-30-36-32-34-27-21-18-22-28-34/h1-2,17-22,25-28H,3-16,23-24,29-32H2
InChIKeyVPZWOGSUCKEGPA-UHFFFAOYSA-N
XLogP10.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.79
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 20-phenylmethoxyicos-10-enoxymethylbenzene 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

[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
undec-4-enoxymethylbenzene
CID 158781580
6-phenylmethoxyhexylidenephosphanium
CID 155584050
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
[(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene
CID 162559957
15-bromopentadecoxymethylbenzene
CID 11338468
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
tris(8-phenylmethoxyoctyl)borane
CID 102473578
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
azane;hexoxymethylbenzene
CID 174805489

Frequently Asked Questions

What is the IUPAC name of 20-phenylmethoxyicos-10-enoxymethylbenzene?
The IUPAC name of 20-phenylmethoxyicos-10-enoxymethylbenzene (CID 54404919) is 20-phenylmethoxyicos-10-enoxymethylbenzene.
What is the SMILES notation for 20-phenylmethoxyicos-10-enoxymethylbenzene?
The canonical SMILES for 20-phenylmethoxyicos-10-enoxymethylbenzene is C(=CCCCCCCCCCOCc1ccccc1)CCCCCCCCCOCc1ccccc1.
What is the InChIKey of 20-phenylmethoxyicos-10-enoxymethylbenzene?
The InChIKey is VPZWOGSUCKEGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52O2/c1(3-5-7-9-11-13-15-23-29-35-31-33-25-19-17-20-26-33)2-4-6-8-10-12-14-16-24-30-36-32-34-27-21-18-22-28-34/h1-2,17-22,25-28H,3-16,23-24,29-32H2.
What are the key properties of 20-phenylmethoxyicos-10-enoxymethylbenzene?
20-phenylmethoxyicos-10-enoxymethylbenzene has a molecular weight of 492.79 g/mol, XLogP of 10.22, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-phenylmethoxyicos-10-enoxymethylbenzene is sourced from PubChem (CID 54404919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).