3-methoxy-2,3-diphenylprop-2-enoic acid

C16H14O3 — CID 69030930

IUPAC3-methoxy-2,3-diphenylprop-2-enoic acid
SMILESCOC(=C(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O3/c1-19-15(13-10-6-3-7-11-13)14(16(17)18)12-8-4-2-5-9-12/h2-11H,1H3,(H,17,18)
InChIKeyHYDLYCPRSCFLLZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.29
Rot. Bonds4

About 3-methoxy-2,3-diphenylprop-2-enoic acid

3-methoxy-2,3-diphenylprop-2-enoic acid (PubChem CID 69030930) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-methoxy-2,3-diphenylprop-2-enoic acid.

Molecular Properties

Compound Name3-methoxy-2,3-diphenylprop-2-enoic acid
PubChem CID69030930
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name3-methoxy-2,3-diphenylprop-2-enoic acid
SMILESCOC(=C(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O3/c1-19-15(13-10-6-3-7-11-13)14(16(17)18)12-8-4-2-5-9-12/h2-11H,1H3,(H,17,18)
InChIKeyHYDLYCPRSCFLLZ-UHFFFAOYSA-N
XLogP3.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-methyl-3-phenylprop-2-enoic acid
CID 57324055
(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one
CID 101099005
3-methoxy-2,3-diphenylprop-2-enal
CID 76537180
3,4-dihydroxy-2,5-diphenylhexa-2,4-dienedioic acid
CID 162948831
(Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one
CID 102130770
(Z)-2-methyl-3-phenylbut-2-enedioic acid
CID 66610285
2-methyl-3-phenylbut-2-enedioic acid
CID 54439323
(Z)-2,3-diphenylpent-2-enoic acid
CID 67236453
4-methoxy-3-methyl-2-phenylbut-2-enoic acid
CID 150910542
4-(1,2-dimethoxy-2-phenylethenyl)phenol
CID 91321560
methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,3-diphenylprop-2-enoic acid?
The IUPAC name of 3-methoxy-2,3-diphenylprop-2-enoic acid (CID 69030930) is 3-methoxy-2,3-diphenylprop-2-enoic acid.
What is the SMILES notation for 3-methoxy-2,3-diphenylprop-2-enoic acid?
The canonical SMILES for 3-methoxy-2,3-diphenylprop-2-enoic acid is COC(=C(C(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methoxy-2,3-diphenylprop-2-enoic acid?
The InChIKey is HYDLYCPRSCFLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-19-15(13-10-6-3-7-11-13)14(16(17)18)12-8-4-2-5-9-12/h2-11H,1H3,(H,17,18).
What are the key properties of 3-methoxy-2,3-diphenylprop-2-enoic acid?
3-methoxy-2,3-diphenylprop-2-enoic acid has a molecular weight of 254.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,3-diphenylprop-2-enoic acid is sourced from PubChem (CID 69030930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).