4-prop-1-enylnaphthalene-1-carboxylic acid

C14H12O2 — CID 139748494

IUPAC4-prop-1-enylnaphthalene-1-carboxylic acid
SMILESCC=Cc1ccc(C(=O)O)c2ccccc12
InChIInChI=1S/C14H12O2/c1-2-5-10-8-9-13(14(15)16)12-7-4-3-6-11(10)12/h2-9H,1H3,(H,15,16)
InChIKeyPYKUAONTVKCIKQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.57
Rot. Bonds2

About 4-prop-1-enylnaphthalene-1-carboxylic acid

4-prop-1-enylnaphthalene-1-carboxylic acid (PubChem CID 139748494) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-prop-1-enylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-prop-1-enylnaphthalene-1-carboxylic acid
PubChem CID139748494
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name4-prop-1-enylnaphthalene-1-carboxylic acid
SMILESCC=Cc1ccc(C(=O)O)c2ccccc12
InChIInChI=1S/C14H12O2/c1-2-5-10-8-9-13(14(15)16)12-7-4-3-6-11(10)12/h2-9H,1H3,(H,15,16)
InChIKeyPYKUAONTVKCIKQ-UHFFFAOYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-enylnaphthalene-1-carboxylic acid?
The IUPAC name of 4-prop-1-enylnaphthalene-1-carboxylic acid (CID 139748494) is 4-prop-1-enylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 4-prop-1-enylnaphthalene-1-carboxylic acid?
The canonical SMILES for 4-prop-1-enylnaphthalene-1-carboxylic acid is CC=Cc1ccc(C(=O)O)c2ccccc12.
What is the InChIKey of 4-prop-1-enylnaphthalene-1-carboxylic acid?
The InChIKey is PYKUAONTVKCIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-2-5-10-8-9-13(14(15)16)12-7-4-3-6-11(10)12/h2-9H,1H3,(H,15,16).
What are the key properties of 4-prop-1-enylnaphthalene-1-carboxylic acid?
4-prop-1-enylnaphthalene-1-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-enylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 139748494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).