2,3-dihydronaphthalene-1-carboxylic acid

C11H10O2 — CID 87593840

IUPAC2,3-dihydronaphthalene-1-carboxylic acid
SMILESO=C(O)C1=c2ccccc2=CCC1
InChIInChI=1S/C11H10O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4-6H,3,7H2,(H,12,13)
InChIKeyVAQNVFDLLUIBFT-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.50
Rot. Bonds1

About 2,3-dihydronaphthalene-1-carboxylic acid

2,3-dihydronaphthalene-1-carboxylic acid (PubChem CID 87593840) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,3-dihydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydronaphthalene-1-carboxylic acid
PubChem CID87593840
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name2,3-dihydronaphthalene-1-carboxylic acid
SMILESO=C(O)C1=c2ccccc2=CCC1
InChIInChI=1S/C11H10O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4-6H,3,7H2,(H,12,13)
InChIKeyVAQNVFDLLUIBFT-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydronaphthalene-1-carboxylic acid?
The IUPAC name of 2,3-dihydronaphthalene-1-carboxylic acid (CID 87593840) is 2,3-dihydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 2,3-dihydronaphthalene-1-carboxylic acid?
The canonical SMILES for 2,3-dihydronaphthalene-1-carboxylic acid is O=C(O)C1=c2ccccc2=CCC1.
What is the InChIKey of 2,3-dihydronaphthalene-1-carboxylic acid?
The InChIKey is VAQNVFDLLUIBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4-6H,3,7H2,(H,12,13).
What are the key properties of 2,3-dihydronaphthalene-1-carboxylic acid?
2,3-dihydronaphthalene-1-carboxylic acid has a molecular weight of 174.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 87593840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).