methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate

C19H20O3 — CID 10946388

IUPACmethyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate
SMILESC=C(CC(OCc1ccccc1)c1ccccc1)C(=O)OC
InChIInChI=1S/C19H20O3/c1-15(19(20)21-2)13-18(17-11-7-4-8-12-17)22-14-16-9-5-3-6-10-16/h3-12,18H,1,13-14H2,2H3
InChIKeyMMMHYTMJHLYNCT-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.06
Rot. Bonds7

About methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate

methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate (PubChem CID 10946388) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate.

Molecular Properties

Compound Namemethyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate
PubChem CID10946388
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Namemethyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate
SMILESC=C(CC(OCc1ccccc1)c1ccccc1)C(=O)OC
InChIInChI=1S/C19H20O3/c1-15(19(20)21-2)13-18(17-11-7-4-8-12-17)22-14-16-9-5-3-6-10-16/h3-12,18H,1,13-14H2,2H3
InChIKeyMMMHYTMJHLYNCT-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate
CID 174718709
methyl (4R,5S)-4-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)hexanoate
CID 10804650
methyl 2-benzylprop-2-enoate
CID 575761
methyl (4R,5S)-4-hydroxy-7-methyl-2-methylidene-5-(phenylmethoxycarbonylamino)octanoate
CID 10760235
3-[4-(1-oxo-1-phenylmethoxypropan-2-yl)phenyl]-3-phenylmethoxypropanoic acid
CID 142632550
2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium
CID 58085087
methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 102059602
3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid
CID 91360158
methyl (3S,4R)-3-hydroxy-4-phenylmethoxypentanoate
CID 22215013
methyl 2-benzhydrylprop-2-enoate
CID 67016942
ethyl (4R)-4-acetyloxy-2-methylidene-4-phenylbutanoate
CID 11207729
methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate
CID 11770323

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate?
The IUPAC name of methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate (CID 10946388) is methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate.
What is the SMILES notation for methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate?
The canonical SMILES for methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate is C=C(CC(OCc1ccccc1)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate?
The InChIKey is MMMHYTMJHLYNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-15(19(20)21-2)13-18(17-11-7-4-8-12-17)22-14-16-9-5-3-6-10-16/h3-12,18H,1,13-14H2,2H3.
What are the key properties of methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate?
methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate has a molecular weight of 296.37 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate is sourced from PubChem (CID 10946388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).