4-hydroxybenzoic acid;pent-2-ene

C12H16O3 — CID 174305627

IUPAC4-hydroxybenzoic acid;pent-2-ene
SMILESCC=CCC.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C7H6O3.C5H10/c8-6-3-1-5(2-4-6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);3,5H,4H2,1-2H3
InChIKeyVRBQVABNYTULDP-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.06
Rot. Bonds2

About 4-hydroxybenzoic acid;pent-2-ene

4-hydroxybenzoic acid;pent-2-ene (PubChem CID 174305627) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-hydroxybenzoic acid;pent-2-ene.

Molecular Properties

Compound Name4-hydroxybenzoic acid;pent-2-ene
PubChem CID174305627
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-hydroxybenzoic acid;pent-2-ene
SMILESCC=CCC.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C7H6O3.C5H10/c8-6-3-1-5(2-4-6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);3,5H,4H2,1-2H3
InChIKeyVRBQVABNYTULDP-UHFFFAOYSA-N
XLogP3.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;4-hydroxybenzoic acid
CID 68624082
4-hydroxy(11C)benzoic acid
CID 11275035
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
hexadecane;4-hydroxybenzoic acid
CID 66671223
4-ethylphenol;4-hydroxybenzoic acid
CID 158740772
2-hydroxybenzoic acid;(E)-pent-2-ene
CID 118482881
sodium;4-hydroxybenzoic acid;hydroxide
CID 161288203
ethene;bis(4-hydroxybenzoic acid)
CID 158613514
ethylbenzene;4-hydroxybenzoic acid
CID 67658801
acetamide;4-hydroxybenzoic acid
CID 67150268

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzoic acid;pent-2-ene?
The IUPAC name of 4-hydroxybenzoic acid;pent-2-ene (CID 174305627) is 4-hydroxybenzoic acid;pent-2-ene.
What is the SMILES notation for 4-hydroxybenzoic acid;pent-2-ene?
The canonical SMILES for 4-hydroxybenzoic acid;pent-2-ene is CC=CCC.O=C(O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzoic acid;pent-2-ene?
The InChIKey is VRBQVABNYTULDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C5H10/c8-6-3-1-5(2-4-6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);3,5H,4H2,1-2H3.
What are the key properties of 4-hydroxybenzoic acid;pent-2-ene?
4-hydroxybenzoic acid;pent-2-ene has a molecular weight of 208.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzoic acid;pent-2-ene is sourced from PubChem (CID 174305627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).