benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol

C19H20O4 — CID 175435157

IUPACbenzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol
SMILESCC=Cc1ccc(O)c(C=C(C)O)c1.O=C(O)c1ccccc1
InChIInChI=1S/C12H14O2.C7H6O2/c1-3-4-10-5-6-12(14)11(8-10)7-9(2)13;8-7(9)6-4-2-1-3-5-6/h3-8,13-14H,1-2H3;1-5H,(H,8,9)
InChIKeySGWWOIGVVFULGH-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.73
Rot. Bonds3

About benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol

benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol (PubChem CID 175435157) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol.

Molecular Properties

Compound Namebenzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol
PubChem CID175435157
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Namebenzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol
SMILESCC=Cc1ccc(O)c(C=C(C)O)c1.O=C(O)c1ccccc1
InChIInChI=1S/C12H14O2.C7H6O2/c1-3-4-10-5-6-12(14)11(8-10)7-9(2)13;8-7(9)6-4-2-1-3-5-6/h3-8,13-14H,1-2H3;1-5H,(H,8,9)
InChIKeySGWWOIGVVFULGH-UHFFFAOYSA-N
XLogP4.73
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-prop-1-enyl]benzoic acid
CID 70130780
acetaldehyde;benzoic acid
CID 142179743
benzene-1,2,4,5-tetrol;benzoic acid;formic acid
CID 173061475
benzoic acid;methanol
CID 67901482
3-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 67720414
5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
CID 54231084
benzene-1,2,4-triol;benzoic acid
CID 161265651
benzene-1,3,5-triol;benzoic acid
CID 71381756
benzoic acid;4-but-2-en-2-ylphenol
CID 71383513
3-prop-1-enylbenzamide
CID 70146317
benzoic acid;methanamine
CID 158244769
benzoic acid;2-methylphenol
CID 163780186

Frequently Asked Questions

What is the IUPAC name of benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol?
The IUPAC name of benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol (CID 175435157) is benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol.
What is the SMILES notation for benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol?
The canonical SMILES for benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol is CC=Cc1ccc(O)c(C=C(C)O)c1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol?
The InChIKey is SGWWOIGVVFULGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2.C7H6O2/c1-3-4-10-5-6-12(14)11(8-10)7-9(2)13;8-7(9)6-4-2-1-3-5-6/h3-8,13-14H,1-2H3;1-5H,(H,8,9).
What are the key properties of benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol?
benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol has a molecular weight of 312.37 g/mol, XLogP of 4.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol is sourced from PubChem (CID 175435157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).