ethoxyethane;methyl 2-phenylprop-2-enoate

C14H20O3 — CID 174753576

IUPACethoxyethane;methyl 2-phenylprop-2-enoate
SMILESC=C(C(=O)OC)c1ccccc1.CCOCC
InChIInChI=1S/C10H10O2.C4H10O/c1-8(10(11)12-2)9-6-4-3-5-7-9;1-3-5-4-2/h3-7H,1H2,2H3;3-4H2,1-2H3
InChIKeyYETPLJJZDYYBRR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.92
Rot. Bonds4

About ethoxyethane;methyl 2-phenylprop-2-enoate

ethoxyethane;methyl 2-phenylprop-2-enoate (PubChem CID 174753576) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethoxyethane;methyl 2-phenylprop-2-enoate.

Molecular Properties

Compound Nameethoxyethane;methyl 2-phenylprop-2-enoate
PubChem CID174753576
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethoxyethane;methyl 2-phenylprop-2-enoate
SMILESC=C(C(=O)OC)c1ccccc1.CCOCC
InChIInChI=1S/C10H10O2.C4H10O/c1-8(10(11)12-2)9-6-4-3-5-7-9;1-3-5-4-2/h3-7H,1H2,2H3;3-4H2,1-2H3
InChIKeyYETPLJJZDYYBRR-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.92
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

1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
benzyl 2-phenylprop-2-enoate;ethyl 2-(4-methylphenyl)prop-2-enoate;ethyl 2-phenylprop-2-enoate;methane;methyl 2-phenylprop-2-enoate
CID 160594780
ethoxyethane;1-phenylethenylbenzene
CID 69353422
ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
CID 70039514
hydroxymethyl 2-phenylprop-2-enoate
CID 174271126
ethoxyethane benzoate
CID 22178435
methyl 2-[3-(hydroxymethoxy)phenyl]prop-2-enoate
CID 141250753
ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate
CID 67501931
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate
CID 2274410
methyl 2-(4-pentylphenyl)prop-2-enoate
CID 139878463
benzoic acid;chloroform;ethoxyethane;hydrochloride
CID 70571094

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;methyl 2-phenylprop-2-enoate?
The IUPAC name of ethoxyethane;methyl 2-phenylprop-2-enoate (CID 174753576) is ethoxyethane;methyl 2-phenylprop-2-enoate.
What is the SMILES notation for ethoxyethane;methyl 2-phenylprop-2-enoate?
The canonical SMILES for ethoxyethane;methyl 2-phenylprop-2-enoate is C=C(C(=O)OC)c1ccccc1.CCOCC.
What is the InChIKey of ethoxyethane;methyl 2-phenylprop-2-enoate?
The InChIKey is YETPLJJZDYYBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C4H10O/c1-8(10(11)12-2)9-6-4-3-5-7-9;1-3-5-4-2/h3-7H,1H2,2H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;methyl 2-phenylprop-2-enoate?
ethoxyethane;methyl 2-phenylprop-2-enoate has a molecular weight of 236.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;methyl 2-phenylprop-2-enoate is sourced from PubChem (CID 174753576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).