2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid

C16H14O4 — CID 162893724

IUPAC2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid
SMILESCOc1cccc(C=Cc2ccc(O)cc2)c1C(=O)O
InChIInChI=1S/C16H14O4/c1-20-14-4-2-3-12(15(14)16(18)19)8-5-11-6-9-13(17)10-7-11/h2-10,17H,1H3,(H,18,19)
InChIKeyYEBSVHYNJQFIBA-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.27
Rot. Bonds4

About 2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid

2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid (PubChem CID 162893724) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid
PubChem CID162893724
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid
SMILESCOc1cccc(C=Cc2ccc(O)cc2)c1C(=O)O
InChIInChI=1S/C16H14O4/c1-20-14-4-2-3-12(15(14)16(18)19)8-5-11-6-9-13(17)10-7-11/h2-10,17H,1H3,(H,18,19)
InChIKeyYEBSVHYNJQFIBA-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid
CID 169453821
2-(4-hydroxybut-1-enyl)-6-methoxybenzoic acid
CID 170477137
2-(3-ethoxy-3-oxoprop-1-enyl)-6-methoxybenzoic acid
CID 169480788
2-(3-acetylsulfanylprop-1-enyl)-6-methoxybenzoic acid
CID 169457797
2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
CID 10061771
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol
CID 101050457
4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid
CID 159607739
2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472202
2-hydroxy-6-[(E)-2-(4-pentoxyphenyl)ethenyl]benzoic acid
CID 124645722
2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde
CID 159655150
2-[2-(3,4-dimethoxyphenyl)ethenyl]benzoic acid
CID 54188462
2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzoic acid
CID 170491050

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid?
The IUPAC name of 2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid (CID 162893724) is 2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid is COc1cccc(C=Cc2ccc(O)cc2)c1C(=O)O.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid?
The InChIKey is YEBSVHYNJQFIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-20-14-4-2-3-12(15(14)16(18)19)8-5-11-6-9-13(17)10-7-11/h2-10,17H,1H3,(H,18,19).
What are the key properties of 2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid?
2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid is sourced from PubChem (CID 162893724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).