2-chlorobenzoic acid;naphthalene-1-carboxylic acid

C18H13ClO4 — CID 67612368

IUPAC2-chlorobenzoic acid;naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2ccccc12.O=C(O)c1ccccc1Cl
InChIInChI=1S/C11H8O2.C7H5ClO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;8-6-4-2-1-3-5(6)7(9)10/h1-7H,(H,12,13);1-4H,(H,9,10)
InChIKeyAYHSWFRGDMQAKW-UHFFFAOYSA-N
MW328.75 g/mol
LogP4.58
Rot. Bonds2

About 2-chlorobenzoic acid;naphthalene-1-carboxylic acid

2-chlorobenzoic acid;naphthalene-1-carboxylic acid (PubChem CID 67612368) has the molecular formula C18H13ClO4 and a molecular weight of 328.75 g/mol. Its IUPAC name is 2-chlorobenzoic acid;naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-chlorobenzoic acid;naphthalene-1-carboxylic acid
PubChem CID67612368
Molecular FormulaC18H13ClO4
Molecular Weight328.75 g/mol
Exact Mass328.05
IUPAC Name2-chlorobenzoic acid;naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2ccccc12.O=C(O)c1ccccc1Cl
InChIInChI=1S/C11H8O2.C7H5ClO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;8-6-4-2-1-3-5(6)7(9)10/h1-7H,(H,12,13);1-4H,(H,9,10)
InChIKeyAYHSWFRGDMQAKW-UHFFFAOYSA-N
XLogP4.58
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87393513
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CID 175531954
4,5-dichloronaphthalene-1-carboxylic acid
CID 56990997
2-aminoethanol;2-chlorobenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzoic acid;naphthalene-1-carboxylic acid?
The IUPAC name of 2-chlorobenzoic acid;naphthalene-1-carboxylic acid (CID 67612368) is 2-chlorobenzoic acid;naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-chlorobenzoic acid;naphthalene-1-carboxylic acid?
The canonical SMILES for 2-chlorobenzoic acid;naphthalene-1-carboxylic acid is O=C(O)c1cccc2ccccc12.O=C(O)c1ccccc1Cl.
What is the InChIKey of 2-chlorobenzoic acid;naphthalene-1-carboxylic acid?
The InChIKey is AYHSWFRGDMQAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2.C7H5ClO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;8-6-4-2-1-3-5(6)7(9)10/h1-7H,(H,12,13);1-4H,(H,9,10).
What are the key properties of 2-chlorobenzoic acid;naphthalene-1-carboxylic acid?
2-chlorobenzoic acid;naphthalene-1-carboxylic acid has a molecular weight of 328.75 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzoic acid;naphthalene-1-carboxylic acid is sourced from PubChem (CID 67612368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).