(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate

C20H22O2 — CID 175308811

IUPAC(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H22O2/c1-16(2)19(21)22-20(3,14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,1,14-15H2,2-3H3
InChIKeyANAQIDCYKZJPPM-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.35
Rot. Bonds6

About (2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate

(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate (PubChem CID 175308811) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate
PubChem CID175308811
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H22O2/c1-16(2)19(21)22-20(3,14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,1,14-15H2,2-3H3
InChIKeyANAQIDCYKZJPPM-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-phenyl-2-phenylsulfanylpropan-2-yl) 2-methylprop-2-enoate
CID 139663621
[1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate
CID 145284155
benzyl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 20574609
acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
[1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid
CID 174415420
2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
CID 86753510
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
(3-chloro-3-methyl-1-phenylbutan-2-yl) 2-methylprop-2-enoate
CID 68660324
[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate
CID 174279576
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
benzyl 2-methylprop-2-enoate;butane
CID 174907722

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate (CID 175308811) is (2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate?
The InChIKey is ANAQIDCYKZJPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-16(2)19(21)22-20(3,14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,1,14-15H2,2-3H3.
What are the key properties of (2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate?
(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate has a molecular weight of 294.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 175308811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).