2-hydroxybenzoic acid;(E)-pent-2-ene

C12H16O3 — CID 118482881

IUPAC2-hydroxybenzoic acid;(E)-pent-2-ene
SMILESC/C=C/CC.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C5H10/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);3,5H,4H2,1-2H3/b;5-3+
InChIKeyUGEYZHBFGQQHAB-GWDXERMASA-N
MW208.26 g/mol
LogP3.06
Rot. Bonds2

About 2-hydroxybenzoic acid;(E)-pent-2-ene

2-hydroxybenzoic acid;(E)-pent-2-ene (PubChem CID 118482881) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;(E)-pent-2-ene.

Molecular Properties

Compound Name2-hydroxybenzoic acid;(E)-pent-2-ene
PubChem CID118482881
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-hydroxybenzoic acid;(E)-pent-2-ene
SMILESC/C=C/CC.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C5H10/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);3,5H,4H2,1-2H3/b;5-3+
InChIKeyUGEYZHBFGQQHAB-GWDXERMASA-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

(Z)-hex-3-en-1-ol;2-hydroxybenzoic acid
CID 174957389
butanedioic acid;2-hydroxybenzoic acid
CID 68741404
chromium;2-hydroxybenzoic acid
CID 87079476
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
docosane;2-hydroxybenzoic acid
CID 161423500
N,N-dimethylmethanamine;2-hydroxybenzoic acid
CID 173188925

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;(E)-pent-2-ene?
The IUPAC name of 2-hydroxybenzoic acid;(E)-pent-2-ene (CID 118482881) is 2-hydroxybenzoic acid;(E)-pent-2-ene.
What is the SMILES notation for 2-hydroxybenzoic acid;(E)-pent-2-ene?
The canonical SMILES for 2-hydroxybenzoic acid;(E)-pent-2-ene is C/C=C/CC.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;(E)-pent-2-ene?
The InChIKey is UGEYZHBFGQQHAB-GWDXERMASA-N. The full InChI is InChI=1S/C7H6O3.C5H10/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);3,5H,4H2,1-2H3/b;5-3+.
What are the key properties of 2-hydroxybenzoic acid;(E)-pent-2-ene?
2-hydroxybenzoic acid;(E)-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 2-hydroxybenzoic acid;(E)-pent-2-ene is sourced from PubChem (CID 118482881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).