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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Related Compounds

5-oxo-8H-naphthalene-2-carboxylic acid
CID 67897142
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15,24-tricarboxylic acid
CID 101463764
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
oxophosphane;terephthalic acid
CID 175391404
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598

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).