2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C19H24O2 — CID 79558584

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1(CC2CC3CCC2C3)CCc2ccccc2C1
InChIInChI=1S/C19H24O2/c20-18(21)19(12-17-10-13-5-6-15(17)9-13)8-7-14-3-1-2-4-16(14)11-19/h1-4,13,15,17H,5-12H2,(H,20,21)
InChIKeyWDQMHTCWRVAOGQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.07
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 79558584) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID79558584
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1(CC2CC3CCC2C3)CCc2ccccc2C1
InChIInChI=1S/C19H24O2/c20-18(21)19(12-17-10-13-5-6-15(17)9-13)8-7-14-3-1-2-4-16(14)11-19/h1-4,13,15,17H,5-12H2,(H,20,21)
InChIKeyWDQMHTCWRVAOGQ-UHFFFAOYSA-N
XLogP4.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 79558584) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is O=C(O)C1(CC2CC3CCC2C3)CCc2ccccc2C1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is WDQMHTCWRVAOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c20-18(21)19(12-17-10-13-5-6-15(17)9-13)8-7-14-3-1-2-4-16(14)11-19/h1-4,13,15,17H,5-12H2,(H,20,21).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 79558584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).