3-(6-hydroxynaphthalen-2-yl)benzoic acid

C17H12O3 — CID 24827299

IUPAC3-(6-hydroxynaphthalen-2-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2ccc3cc(O)ccc3c2)c1
InChIInChI=1S/C17H12O3/c18-16-7-6-13-8-12(4-5-14(13)10-16)11-2-1-3-15(9-11)17(19)20/h1-10,18H,(H,19,20)
InChIKeyQKQDCOMEKVAYFS-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.91
Rot. Bonds2

About 3-(6-hydroxynaphthalen-2-yl)benzoic acid

3-(6-hydroxynaphthalen-2-yl)benzoic acid (PubChem CID 24827299) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(6-hydroxynaphthalen-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(6-hydroxynaphthalen-2-yl)benzoic acid
PubChem CID24827299
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name3-(6-hydroxynaphthalen-2-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2ccc3cc(O)ccc3c2)c1
InChIInChI=1S/C17H12O3/c18-16-7-6-13-8-12(4-5-14(13)10-16)11-2-1-3-15(9-11)17(19)20/h1-10,18H,(H,19,20)
InChIKeyQKQDCOMEKVAYFS-UHFFFAOYSA-N
XLogP3.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxynaphthalen-2-yl)benzoic acid?
The IUPAC name of 3-(6-hydroxynaphthalen-2-yl)benzoic acid (CID 24827299) is 3-(6-hydroxynaphthalen-2-yl)benzoic acid.
What is the SMILES notation for 3-(6-hydroxynaphthalen-2-yl)benzoic acid?
The canonical SMILES for 3-(6-hydroxynaphthalen-2-yl)benzoic acid is O=C(O)c1cccc(-c2ccc3cc(O)ccc3c2)c1.
What is the InChIKey of 3-(6-hydroxynaphthalen-2-yl)benzoic acid?
The InChIKey is QKQDCOMEKVAYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-16-7-6-13-8-12(4-5-14(13)10-16)11-2-1-3-15(9-11)17(19)20/h1-10,18H,(H,19,20).
What are the key properties of 3-(6-hydroxynaphthalen-2-yl)benzoic acid?
3-(6-hydroxynaphthalen-2-yl)benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxynaphthalen-2-yl)benzoic acid is sourced from PubChem (CID 24827299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).