1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid

C17H13ClO3 — CID 67353382

IUPAC1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1C=Cc2ccccc2C1(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClO3/c18-13-8-6-12(7-9-13)17(21)14-4-2-1-3-11(14)5-10-15(17)16(19)20/h1-10,15,21H,(H,19,20)
InChIKeyNVZBVVDERGSBRS-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.30
Rot. Bonds2

About 1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid

1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid (PubChem CID 67353382) has the molecular formula C17H13ClO3 and a molecular weight of 300.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid
PubChem CID67353382
Molecular FormulaC17H13ClO3
Molecular Weight300.74 g/mol
Exact Mass300.06
IUPAC Name1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1C=Cc2ccccc2C1(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClO3/c18-13-8-6-12(7-9-13)17(21)14-4-2-1-3-11(14)5-10-15(17)16(19)20/h1-10,15,21H,(H,19,20)
InChIKeyNVZBVVDERGSBRS-UHFFFAOYSA-N
XLogP3.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid (CID 67353382) is 1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid is O=C(O)C1C=Cc2ccccc2C1(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid?
The InChIKey is NVZBVVDERGSBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO3/c18-13-8-6-12(7-9-13)17(21)14-4-2-1-3-11(14)5-10-15(17)16(19)20/h1-10,15,21H,(H,19,20).
What are the key properties of 1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid?
1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid has a molecular weight of 300.74 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-hydroxy-2H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 67353382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).