(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate

C14H18O3 — CID 59969147

IUPAC(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)COc1ccccc1
InChIInChI=1S/C14H18O3/c1-11(2)14(15)17-10-12(3)9-16-13-7-5-4-6-8-13/h4-8,12H,1,9-10H2,2-3H3
InChIKeyXFGZNSHPDQVLCS-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.82
Rot. Bonds6

About (2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate

(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate (PubChem CID 59969147) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
PubChem CID59969147
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)COc1ccccc1
InChIInChI=1S/C14H18O3/c1-11(2)14(15)17-10-12(3)9-16-13-7-5-4-6-8-13/h4-8,12H,1,9-10H2,2-3H3
InChIKeyXFGZNSHPDQVLCS-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.82
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

2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate
CID 170549371
[3-(4-benzoyl-3-hydroxyphenoxy)-2-methylpropyl] 2-methylprop-2-enoate
CID 175051877
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
ethane;methane;phenoxymethyl 2-methylprop-2-enoate
CID 161278326
(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate
CID 21390095
(1-hydroxy-3-phenoxypropan-2-yl) 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) 2-methylprop-2-enoate
CID 160914554
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
[2-hydroxy-3-[[4-[(2-hydroxy-3-phenoxypropoxy)methyl]cyclohexyl]methoxy]propyl] 2-methylprop-2-enoate
CID 67511890
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
acetic acid;1-phenoxypropan-2-ol
CID 68567525
[3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate
CID 118333770
(2-hydroxy-3-phenoxypropyl) 2-methylidenebutanoate
CID 149436973

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate?
The IUPAC name of (2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate (CID 59969147) is (2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)COc1ccccc1.
What is the InChIKey of (2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate?
The InChIKey is XFGZNSHPDQVLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-11(2)14(15)17-10-12(3)9-16-13-7-5-4-6-8-13/h4-8,12H,1,9-10H2,2-3H3.
What are the key properties of (2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate?
(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate has a molecular weight of 234.30 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 59969147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).