methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene

C103H106O16 — CID 157429034

IUPACmethane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene
SMILESC.C=CC(=O)OC(COC)COc1ccc(-c2ccccc2)cc1.C=CC(=O)OC(COC)COc1ccc(-c2ccccc2)cc1.C=CC(=O)OC(COC)COc1ccc(-c2ccccc2)cc1.C=CC(=O)OC(COC)COc1ccc(-c2ccccc2)cc1.c1ccc(C(c2ccccc2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22.4C19H20O4.CH4/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24;4*1-3-19(20)23-18(13-21-2)14-22-17-11-9-16(10-12-17)15-7-5-4-6-8-15;/h1-20,25-26H;4*3-12,18H,1,13-14H2,2H3;1H4
InChIKeyBQHQOMXZOFJRBH-UHFFFAOYSA-N
MW1599.96 g/mol
LogP21.19
Rot. Bonds37

About methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene

methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene (PubChem CID 157429034) has the molecular formula C103H106O16 and a molecular weight of 1599.96 g/mol. Its IUPAC name is methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene.

Molecular Properties

Compound Namemethane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene
PubChem CID157429034
Molecular FormulaC103H106O16
Molecular Weight1599.96 g/mol
Exact Mass1598.75
IUPAC Namemethane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene
SMILESC.C=CC(=O)OC(COC)COc1ccc(-c2ccccc2)cc1.C=CC(=O)OC(COC)COc1ccc(-c2ccccc2)cc1.C=CC(=O)OC(COC)COc1ccc(-c2ccccc2)cc1.C=CC(=O)OC(COC)COc1ccc(-c2ccccc2)cc1.c1ccc(C(c2ccccc2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22.4C19H20O4.CH4/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24;4*1-3-19(20)23-18(13-21-2)14-22-17-11-9-16(10-12-17)15-7-5-4-6-8-15;/h1-20,25-26H;4*3-12,18H,1,13-14H2,2H3;1H4
InChIKeyBQHQOMXZOFJRBH-UHFFFAOYSA-N
XLogP21.19
TPSA179.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001599.96
LogP ≤ 521.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
CID 142355257
[1-phenoxy-3-[4-[2-[2-[4-(3-phenoxy-2-prop-2-enoyloxypropoxy)phenyl]phenyl]phenyl]phenoxy]propan-2-yl] prop-2-enoate
CID 118671524
[1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
CID 145121720
[1-(3-phenylphenoxy)-3-[3-[3-(3-phenylphenoxy)-2-prop-2-enoyloxypropoxy]phenoxy]propan-2-yl] prop-2-enoate
CID 23111038
1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate
CID 58280736
[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate
CID 142563864
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
[1-(4-chlorophenoxy)-3-phenylsulfanylpropan-2-yl] prop-2-enoate
CID 58961721
[1-phenylsulfanyl-3-[4-[2-[4-(3-phenylsulfanyl-2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] prop-2-enoate
CID 23389656
1-phenylethyl prop-2-enoate
CID 175321764
4-[2,3-di(prop-2-enoyloxy)propoxy]benzoic acid
CID 122419882
6-[4-[4-(4-prop-2-enoyloxyhexoxy)phenyl]phenoxy]hexan-3-yl prop-2-enoate
CID 90003140

Frequently Asked Questions

What is the IUPAC name of methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene?
The IUPAC name of methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene (CID 157429034) is methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene.
What is the SMILES notation for methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene?
The canonical SMILES for methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene is C.C=CC(=O)OC(COC)COc1ccc(-c2ccccc2)cc1.C=CC(=O)OC(COC)COc1ccc(-c2ccccc2)cc1.C=CC(=O)OC(COC)COc1ccc(-c2ccccc2)cc1.C=CC(=O)OC(COC)COc1ccc(-c2ccccc2)cc1.c1ccc(C(c2ccccc2)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene?
The InChIKey is BQHQOMXZOFJRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22.4C19H20O4.CH4/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24;4*1-3-19(20)23-18(13-21-2)14-22-17-11-9-16(10-12-17)15-7-5-4-6-8-15;/h1-20,25-26H;4*3-12,18H,1,13-14H2,2H3;1H4.
What are the key properties of methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene?
methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene has a molecular weight of 1599.96 g/mol, XLogP of 21.19, 37 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene is sourced from PubChem (CID 157429034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).