2-[(4-phenylphenoxy)methyl]prop-2-enoic acid

C16H14O3 — CID 13368547

IUPAC2-[(4-phenylphenoxy)methyl]prop-2-enoic acid
SMILESC=C(COc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H14O3/c1-12(16(17)18)11-19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,1,11H2,(H,17,18)
InChIKeyJLIZGRNTXIRYSW-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.37
Rot. Bonds5

About 2-[(4-phenylphenoxy)methyl]prop-2-enoic acid

2-[(4-phenylphenoxy)methyl]prop-2-enoic acid (PubChem CID 13368547) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[(4-phenylphenoxy)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(4-phenylphenoxy)methyl]prop-2-enoic acid
PubChem CID13368547
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name2-[(4-phenylphenoxy)methyl]prop-2-enoic acid
SMILESC=C(COc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H14O3/c1-12(16(17)18)11-19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,1,11H2,(H,17,18)
InChIKeyJLIZGRNTXIRYSW-UHFFFAOYSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-9-(4-phenylphenoxy)nonanoic acid
CID 118914936
1-(4-phenylphenoxy)butan-2-one
CID 62041258
2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid
CID 167862946
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
propan-2-yl 2-(4-phenylphenoxy)acetate
CID 2791913
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557
(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
2-[(3-chlorophenoxy)methyl]prop-2-enoic acid;hydrochloride
CID 70511499
1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
CID 4309178
(4-phenylphenoxy)methanol
CID 71028246
(2,3,4,5,6-pentafluorophenyl) 2-(4-phenylphenoxy)acetate
CID 87804804

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenoxy)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(4-phenylphenoxy)methyl]prop-2-enoic acid (CID 13368547) is 2-[(4-phenylphenoxy)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(4-phenylphenoxy)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(4-phenylphenoxy)methyl]prop-2-enoic acid is C=C(COc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-[(4-phenylphenoxy)methyl]prop-2-enoic acid?
The InChIKey is JLIZGRNTXIRYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-12(16(17)18)11-19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,1,11H2,(H,17,18).
What are the key properties of 2-[(4-phenylphenoxy)methyl]prop-2-enoic acid?
2-[(4-phenylphenoxy)methyl]prop-2-enoic acid has a molecular weight of 254.28 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenoxy)methyl]prop-2-enoic acid is sourced from PubChem (CID 13368547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).