6-prop-1-enoxynaphthalene-2-carboxylic acid

C14H12O3 — CID 57123185

IUPAC6-prop-1-enoxynaphthalene-2-carboxylic acid
SMILESCC=COc1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C14H12O3/c1-2-7-17-13-6-5-10-8-12(14(15)16)4-3-11(10)9-13/h2-9H,1H3,(H,15,16)
InChIKeyRJCMDRSGQAKEFQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.45
Rot. Bonds3

About 6-prop-1-enoxynaphthalene-2-carboxylic acid

6-prop-1-enoxynaphthalene-2-carboxylic acid (PubChem CID 57123185) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-prop-1-enoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-prop-1-enoxynaphthalene-2-carboxylic acid
PubChem CID57123185
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name6-prop-1-enoxynaphthalene-2-carboxylic acid
SMILESCC=COc1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C14H12O3/c1-2-7-17-13-6-5-10-8-12(14(15)16)4-3-11(10)9-13/h2-9H,1H3,(H,15,16)
InChIKeyRJCMDRSGQAKEFQ-UHFFFAOYSA-N
XLogP3.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-prop-1-enoxynaphthalene-2-carboxylic acid?
The IUPAC name of 6-prop-1-enoxynaphthalene-2-carboxylic acid (CID 57123185) is 6-prop-1-enoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-prop-1-enoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 6-prop-1-enoxynaphthalene-2-carboxylic acid is CC=COc1ccc2cc(C(=O)O)ccc2c1.
What is the InChIKey of 6-prop-1-enoxynaphthalene-2-carboxylic acid?
The InChIKey is RJCMDRSGQAKEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-2-7-17-13-6-5-10-8-12(14(15)16)4-3-11(10)9-13/h2-9H,1H3,(H,15,16).
What are the key properties of 6-prop-1-enoxynaphthalene-2-carboxylic acid?
6-prop-1-enoxynaphthalene-2-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-1-enoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 57123185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).