phenoxybenzene;prop-2-enoic acid

C15H14O3 — CID 66735010

IUPACphenoxybenzene;prop-2-enoic acid
SMILESC=CC(=O)O.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C3H4O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3(4)5/h1-10H;2H,1H2,(H,4,5)
InChIKeyLCDOENXNMQXGFS-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.74
Rot. Bonds3

About phenoxybenzene;prop-2-enoic acid

phenoxybenzene;prop-2-enoic acid (PubChem CID 66735010) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is phenoxybenzene;prop-2-enoic acid.

Molecular Properties

Compound Namephenoxybenzene;prop-2-enoic acid
PubChem CID66735010
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namephenoxybenzene;prop-2-enoic acid
SMILESC=CC(=O)O.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C3H4O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3(4)5/h1-10H;2H,1H2,(H,4,5)
InChIKeyLCDOENXNMQXGFS-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenoxybenzene;prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enoic acid;prop-2-enoxybenzene
CID 174376278
benzene;phenol;prop-2-enoic acid
CID 174875932
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
oxophosphanium;phenoxybenzene
CID 161329594
phenol;bis(prop-2-enoic acid);hydrofluoride
CID 175753146
prop-2-enoic acid;bis(1,2-xylene)
CID 175543794
prop-2-enoic acid;styrene
CID 160851252
CID 159259752
CID 159259752
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
hydroxy(oxo)phosphanium;phenoxybenzene
CID 162014005
N-phenylaniline;prop-2-enoic acid
CID 160759599

Frequently Asked Questions

What is the IUPAC name of phenoxybenzene;prop-2-enoic acid?
The IUPAC name of phenoxybenzene;prop-2-enoic acid (CID 66735010) is phenoxybenzene;prop-2-enoic acid.
What is the SMILES notation for phenoxybenzene;prop-2-enoic acid?
The canonical SMILES for phenoxybenzene;prop-2-enoic acid is C=CC(=O)O.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of phenoxybenzene;prop-2-enoic acid?
The InChIKey is LCDOENXNMQXGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C3H4O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3(4)5/h1-10H;2H,1H2,(H,4,5).
What are the key properties of phenoxybenzene;prop-2-enoic acid?
phenoxybenzene;prop-2-enoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxybenzene;prop-2-enoic acid is sourced from PubChem (CID 66735010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).