5,8-dihydronaphthalene-2-carboxylic acid

C11H10O2 — CID 70557136

IUPAC5,8-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC=CC2
InChIInChI=1S/C11H10O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-2,5-7H,3-4H2,(H,12,13)
InChIKeySYVGNMLOLRLOFQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.04
Rot. Bonds1

About 5,8-dihydronaphthalene-2-carboxylic acid

5,8-dihydronaphthalene-2-carboxylic acid (PubChem CID 70557136) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 5,8-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5,8-dihydronaphthalene-2-carboxylic acid
PubChem CID70557136
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name5,8-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC=CC2
InChIInChI=1S/C11H10O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-2,5-7H,3-4H2,(H,12,13)
InChIKeySYVGNMLOLRLOFQ-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5,8-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 5,8-dihydronaphthalene-2-carboxylic acid (CID 70557136) is 5,8-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5,8-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5,8-dihydronaphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)CC=CC2.
What is the InChIKey of 5,8-dihydronaphthalene-2-carboxylic acid?
The InChIKey is SYVGNMLOLRLOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-2,5-7H,3-4H2,(H,12,13).
What are the key properties of 5,8-dihydronaphthalene-2-carboxylic acid?
5,8-dihydronaphthalene-2-carboxylic acid has a molecular weight of 174.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 70557136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).