naphthalene-2-carboxylic acid

C11H8O2 — CID 7123

IUPACnaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1
InChIInChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
InChIKeyUOBYKYZJUGYBDK-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.54
Rot. Bonds1

About naphthalene-2-carboxylic acid

naphthalene-2-carboxylic acid (PubChem CID 7123) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is naphthalene-2-carboxylic acid.

Molecular Properties

Compound Namenaphthalene-2-carboxylic acid
PubChem CID7123
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Namenaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1
InChIInChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
InChIKeyUOBYKYZJUGYBDK-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Naphthaleneacetic Acid
CID 6862
Bexarotene
CID 82146
P-Toluic Acid
CID 7470
4-tert-Butylbenzoic acid
CID 7403
2-Methylbenzoic acid
CID 8373
4-Isopropylbenzoic Acid
CID 10820
9-Anthracenecarboxylic acid
CID 2201
Trimellitic acid
CID 10708
3-Methylbenzoic acid
CID 7418
Arotinoid acid
CID 5289501
(1,1'-Biphenyl)-4-carboxylic acid
CID 66724
1-Naphthoic acid
CID 6847

Frequently Asked Questions

What is the IUPAC name of naphthalene-2-carboxylic acid?
The IUPAC name of naphthalene-2-carboxylic acid (CID 7123) is naphthalene-2-carboxylic acid.
What is the SMILES notation for naphthalene-2-carboxylic acid?
The canonical SMILES for naphthalene-2-carboxylic acid is O=C(O)c1ccc2ccccc2c1.
What is the InChIKey of naphthalene-2-carboxylic acid?
The InChIKey is UOBYKYZJUGYBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13).
What are the key properties of naphthalene-2-carboxylic acid?
naphthalene-2-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2-carboxylic acid is sourced from PubChem (CID 7123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).