2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate

C29H32O4 — CID 90442636

IUPAC2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCc1ccc(C(OCCC)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H32O4/c1-4-19-33-29(25-11-7-5-8-12-25,26-13-9-6-10-14-26)27-17-15-24(16-18-27)22-31-20-21-32-28(30)23(2)3/h5-18H,2,4,19-22H2,1,3H3
InChIKeySWQROJQHLFXFLH-UHFFFAOYSA-N
MW444.57 g/mol
LogP6.04
Rot. Bonds12

About 2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate

2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate (PubChem CID 90442636) has the molecular formula C29H32O4 and a molecular weight of 444.57 g/mol. Its IUPAC name is 2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
PubChem CID90442636
Molecular FormulaC29H32O4
Molecular Weight444.57 g/mol
Exact Mass444.23
IUPAC Name2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCc1ccc(C(OCCC)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H32O4/c1-4-19-33-29(25-11-7-5-8-12-25,26-13-9-6-10-14-26)27-17-15-24(16-18-27)22-31-20-21-32-28(30)23(2)3/h5-18H,2,4,19-22H2,1,3H3
InChIKeySWQROJQHLFXFLH-UHFFFAOYSA-N
XLogP6.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.57
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 59392121
4-trityloxybutyl 2-methylprop-2-enoate
CID 141487802
2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 59392192
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
CID 70268341
benzyl 2-methylprop-2-enoate;butane
CID 174907722
2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 138664730
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158568782
2-[4-[1-(2-phenylmethoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl 2-methylprop-2-enoate
CID 20607694
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate (CID 90442636) is 2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCc1ccc(C(OCCC)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is SWQROJQHLFXFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O4/c1-4-19-33-29(25-11-7-5-8-12-25,26-13-9-6-10-14-26)27-17-15-24(16-18-27)22-31-20-21-32-28(30)23(2)3/h5-18H,2,4,19-22H2,1,3H3.
What are the key properties of 2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate?
2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 444.57 g/mol, XLogP of 6.04, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 90442636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).