3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid

C14H12O3 — CID 23558379

IUPAC3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid
SMILESC=CCc1ccc2cc(O)c(C(=O)O)cc2c1
InChIInChI=1S/C14H12O3/c1-2-3-9-4-5-10-8-13(15)12(14(16)17)7-11(10)6-9/h2,4-8,15H,1,3H2,(H,16,17)
InChIKeyOOZHVOKQJAVKMI-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.97
Rot. Bonds3

About 3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid

3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid (PubChem CID 23558379) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid
PubChem CID23558379
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid
SMILESC=CCc1ccc2cc(O)c(C(=O)O)cc2c1
InChIInChI=1S/C14H12O3/c1-2-3-9-4-5-10-8-13(15)12(14(16)17)7-11(10)6-9/h2,4-8,15H,1,3H2,(H,16,17)
InChIKeyOOZHVOKQJAVKMI-UHFFFAOYSA-N
XLogP2.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid (CID 23558379) is 3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid is C=CCc1ccc2cc(O)c(C(=O)O)cc2c1.
What is the InChIKey of 3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid?
The InChIKey is OOZHVOKQJAVKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-2-3-9-4-5-10-8-13(15)12(14(16)17)7-11(10)6-9/h2,4-8,15H,1,3H2,(H,16,17).
What are the key properties of 3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid?
3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 23558379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).