naphthalene-2-carboxylic acid;naphthalen-2-ol

C21H16O3 — CID 161405760

IUPACnaphthalene-2-carboxylic acid;naphthalen-2-ol
SMILESO=C(O)c1ccc2ccccc2c1.Oc1ccc2ccccc2c1
InChIInChI=1S/C11H8O2.C10H8O/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13);1-7,11H
InChIKeyVUUVGCHDQMTPJF-UHFFFAOYSA-N
MW316.36 g/mol
LogP5.08
Rot. Bonds1

About naphthalene-2-carboxylic acid;naphthalen-2-ol

naphthalene-2-carboxylic acid;naphthalen-2-ol (PubChem CID 161405760) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is naphthalene-2-carboxylic acid;naphthalen-2-ol.

Molecular Properties

Compound Namenaphthalene-2-carboxylic acid;naphthalen-2-ol
PubChem CID161405760
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Namenaphthalene-2-carboxylic acid;naphthalen-2-ol
SMILESO=C(O)c1ccc2ccccc2c1.Oc1ccc2ccccc2c1
InChIInChI=1S/C11H8O2.C10H8O/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13);1-7,11H
InChIKeyVUUVGCHDQMTPJF-UHFFFAOYSA-N
XLogP5.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphthalene-2-carboxylic acid;naphthalen-2-ol?
The IUPAC name of naphthalene-2-carboxylic acid;naphthalen-2-ol (CID 161405760) is naphthalene-2-carboxylic acid;naphthalen-2-ol.
What is the SMILES notation for naphthalene-2-carboxylic acid;naphthalen-2-ol?
The canonical SMILES for naphthalene-2-carboxylic acid;naphthalen-2-ol is O=C(O)c1ccc2ccccc2c1.Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalene-2-carboxylic acid;naphthalen-2-ol?
The InChIKey is VUUVGCHDQMTPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2.C10H8O/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13);1-7,11H.
What are the key properties of naphthalene-2-carboxylic acid;naphthalen-2-ol?
naphthalene-2-carboxylic acid;naphthalen-2-ol has a molecular weight of 316.36 g/mol, XLogP of 5.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2-carboxylic acid;naphthalen-2-ol is sourced from PubChem (CID 161405760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).