benzoic acid;4-but-2-en-2-ylphenol

C17H18O3 — CID 71383513

IUPACbenzoic acid;4-but-2-en-2-ylphenol
SMILESCC=C(C)c1ccc(O)cc1.O=C(O)c1ccccc1
InChIInChI=1S/C10H12O.C7H6O2/c1-3-8(2)9-4-6-10(11)7-5-9;8-7(9)6-4-2-1-3-5-6/h3-7,11H,1-2H3;1-5H,(H,8,9)
InChIKeyUWOJSSXTYDYMKL-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.20
Rot. Bonds2

About benzoic acid;4-but-2-en-2-ylphenol

benzoic acid;4-but-2-en-2-ylphenol (PubChem CID 71383513) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is benzoic acid;4-but-2-en-2-ylphenol.

Molecular Properties

Compound Namebenzoic acid;4-but-2-en-2-ylphenol
PubChem CID71383513
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namebenzoic acid;4-but-2-en-2-ylphenol
SMILESCC=C(C)c1ccc(O)cc1.O=C(O)c1ccccc1
InChIInChI=1S/C10H12O.C7H6O2/c1-3-8(2)9-4-6-10(11)7-5-9;8-7(9)6-4-2-1-3-5-6/h3-7,11H,1-2H3;1-5H,(H,8,9)
InChIKeyUWOJSSXTYDYMKL-UHFFFAOYSA-N
XLogP4.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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acetaldehyde;benzoic acid
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4-hydroxybenzoic acid;decahydrate
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ethene;bis(4-hydroxybenzoic acid)
CID 158613514
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Frequently Asked Questions

What is the IUPAC name of benzoic acid;4-but-2-en-2-ylphenol?
The IUPAC name of benzoic acid;4-but-2-en-2-ylphenol (CID 71383513) is benzoic acid;4-but-2-en-2-ylphenol.
What is the SMILES notation for benzoic acid;4-but-2-en-2-ylphenol?
The canonical SMILES for benzoic acid;4-but-2-en-2-ylphenol is CC=C(C)c1ccc(O)cc1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;4-but-2-en-2-ylphenol?
The InChIKey is UWOJSSXTYDYMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C7H6O2/c1-3-8(2)9-4-6-10(11)7-5-9;8-7(9)6-4-2-1-3-5-6/h3-7,11H,1-2H3;1-5H,(H,8,9).
What are the key properties of benzoic acid;4-but-2-en-2-ylphenol?
benzoic acid;4-but-2-en-2-ylphenol has a molecular weight of 270.33 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;4-but-2-en-2-ylphenol is sourced from PubChem (CID 71383513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).