3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid

C16H14O4 — CID 70600588

IUPAC3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid
SMILESCOC(C(=O)O)=C(O)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H14O4/c1-20-15(16(18)19)14(17)13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10,17H,1H3,(H,18,19)
InChIKeyJFDQQSXVRXZMQH-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.31
Rot. Bonds4

About 3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid

3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid (PubChem CID 70600588) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid
PubChem CID70600588
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid
SMILESCOC(C(=O)O)=C(O)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H14O4/c1-20-15(16(18)19)14(17)13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10,17H,1H3,(H,18,19)
InChIKeyJFDQQSXVRXZMQH-UHFFFAOYSA-N
XLogP3.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-phenylphenyl)but-3-enoate
CID 162401170
methyl hydrogen carbonate;2-phenylphenol
CID 67829227
2,4-dioxo-4-(2-phenylphenyl)butanoic acid
CID 23623031
methyl 2-isocyano-3-phenylbenzoate
CID 71497474
acetylene;2-phenylbenzoic acid
CID 67726329
(3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate
CID 955183
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887239
2-phenyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 31812149
[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229076
2-oxo-2-(2-phenylphenyl)acetyl chloride
CID 87185845
N-(2-methylprop-1-enyl)-2-phenylbenzamide
CID 13217955

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid?
The IUPAC name of 3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid (CID 70600588) is 3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid?
The canonical SMILES for 3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid is COC(C(=O)O)=C(O)c1ccccc1-c1ccccc1.
What is the InChIKey of 3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid?
The InChIKey is JFDQQSXVRXZMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-20-15(16(18)19)14(17)13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10,17H,1H3,(H,18,19).
What are the key properties of 3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid?
3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid is sourced from PubChem (CID 70600588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).