2-methylprop-2-enoic acid;1-phenoxyethanol

C12H16O4 — CID 67581727

IUPAC2-methylprop-2-enoic acid;1-phenoxyethanol
SMILESC=C(C)C(=O)O.CC(O)Oc1ccccc1
InChIInChI=1S/C8H10O2.C4H6O2/c1-7(9)10-8-5-3-2-4-6-8;1-3(2)4(5)6/h2-7,9H,1H3;1H2,2H3,(H,5,6)
InChIKeyNXYOKWKBTFNZRH-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.05
Rot. Bonds3

About 2-methylprop-2-enoic acid;1-phenoxyethanol

2-methylprop-2-enoic acid;1-phenoxyethanol (PubChem CID 67581727) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;1-phenoxyethanol.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;1-phenoxyethanol
PubChem CID67581727
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-methylprop-2-enoic acid;1-phenoxyethanol
SMILESC=C(C)C(=O)O.CC(O)Oc1ccccc1
InChIInChI=1S/C8H10O2.C4H6O2/c1-7(9)10-8-5-3-2-4-6-8;1-3(2)4(5)6/h2-7,9H,1H3;1H2,2H3,(H,5,6)
InChIKeyNXYOKWKBTFNZRH-UHFFFAOYSA-N
XLogP2.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-phenoxyethanol
CID 66611531
1-phenoxyethanol;trihydrate
CID 175915128
chloroform;1-phenoxyethanol
CID 160851082
2-methylidene-3-phenoxybutanoic acid
CID 21464511
anisole;1-phenoxyethanol
CID 143208941
magnesium;1-phenoxyethanol;sulfate
CID 159781449
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
3-methylbut-3-en-2-yloxybenzene
CID 564925
biphenylene;2-methylprop-2-enoic acid
CID 174864090
2-methyl-1-phenylpropan-1-one;2-methylprop-2-enoic acid
CID 175602127
[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone
CID 144654455
azane;aziridin-2-ol;1-phenoxyethanol
CID 20544565

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;1-phenoxyethanol?
The IUPAC name of 2-methylprop-2-enoic acid;1-phenoxyethanol (CID 67581727) is 2-methylprop-2-enoic acid;1-phenoxyethanol.
What is the SMILES notation for 2-methylprop-2-enoic acid;1-phenoxyethanol?
The canonical SMILES for 2-methylprop-2-enoic acid;1-phenoxyethanol is C=C(C)C(=O)O.CC(O)Oc1ccccc1.
What is the InChIKey of 2-methylprop-2-enoic acid;1-phenoxyethanol?
The InChIKey is NXYOKWKBTFNZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C4H6O2/c1-7(9)10-8-5-3-2-4-6-8;1-3(2)4(5)6/h2-7,9H,1H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;1-phenoxyethanol?
2-methylprop-2-enoic acid;1-phenoxyethanol has a molecular weight of 224.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;1-phenoxyethanol is sourced from PubChem (CID 67581727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).