prop-2-enoic acid;prop-2-enoxybenzene

C12H14O3 — CID 174376278

IUPACprop-2-enoic acid;prop-2-enoxybenzene
SMILESC=CC(=O)O.C=CCOc1ccccc1
InChIInChI=1S/C9H10O.C3H4O2/c1-2-8-10-9-6-4-3-5-7-9;1-2-3(4)5/h2-7H,1,8H2;2H,1H2,(H,4,5)
InChIKeyYNSVFXUXAPZRRB-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.51
Rot. Bonds4

About prop-2-enoic acid;prop-2-enoxybenzene

prop-2-enoic acid;prop-2-enoxybenzene (PubChem CID 174376278) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is prop-2-enoic acid;prop-2-enoxybenzene.

Molecular Properties

Compound Nameprop-2-enoic acid;prop-2-enoxybenzene
PubChem CID174376278
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameprop-2-enoic acid;prop-2-enoxybenzene
SMILESC=CC(=O)O.C=CCOc1ccccc1
InChIInChI=1S/C9H10O.C3H4O2/c1-2-8-10-9-6-4-3-5-7-9;1-2-3(4)5/h2-7H,1,8H2;2H,1H2,(H,4,5)
InChIKeyYNSVFXUXAPZRRB-UHFFFAOYSA-N
XLogP2.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 174846151
CID 174846151
phosphoric acid;prop-2-enoxybenzene
CID 66665136
phenoxybenzene;prop-2-enoic acid
CID 66735010
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
oxirane;phosphoric acid;prop-2-enoxybenzene
CID 174439395
phenol;4-prop-2-enoxyphenol
CID 70303777
sodium;prop-2-enoxybenzene;2-sulfoacetate
CID 134278126
2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 162233537
1-phenoxypent-4-en-2-one
CID 62716371
3-(3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 74580611
(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 19608879
bis(3-prop-2-enoxyphenyl) carbonate
CID 175530983

Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;prop-2-enoxybenzene?
The IUPAC name of prop-2-enoic acid;prop-2-enoxybenzene (CID 174376278) is prop-2-enoic acid;prop-2-enoxybenzene.
What is the SMILES notation for prop-2-enoic acid;prop-2-enoxybenzene?
The canonical SMILES for prop-2-enoic acid;prop-2-enoxybenzene is C=CC(=O)O.C=CCOc1ccccc1.
What is the InChIKey of prop-2-enoic acid;prop-2-enoxybenzene?
The InChIKey is YNSVFXUXAPZRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C3H4O2/c1-2-8-10-9-6-4-3-5-7-9;1-2-3(4)5/h2-7H,1,8H2;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;prop-2-enoxybenzene?
prop-2-enoic acid;prop-2-enoxybenzene has a molecular weight of 206.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;prop-2-enoxybenzene is sourced from PubChem (CID 174376278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).