4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid

C17H11BrO3 — CID 57386408

IUPAC4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3cc(O)ccc3c2Br)cc1
InChIInChI=1S/C17H11BrO3/c18-16-14(10-1-3-11(4-2-10)17(20)21)7-5-12-9-13(19)6-8-15(12)16/h1-9,19H,(H,20,21)
InChIKeyHQBNMFSTHQORJE-UHFFFAOYSA-N
MW343.18 g/mol
LogP4.67
Rot. Bonds2

About 4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid

4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid (PubChem CID 57386408) has the molecular formula C17H11BrO3 and a molecular weight of 343.18 g/mol. Its IUPAC name is 4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid
PubChem CID57386408
Molecular FormulaC17H11BrO3
Molecular Weight343.18 g/mol
Exact Mass341.99
IUPAC Name4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3cc(O)ccc3c2Br)cc1
InChIInChI=1S/C17H11BrO3/c18-16-14(10-1-3-11(4-2-10)17(20)21)7-5-12-9-13(19)6-8-15(12)16/h1-9,19H,(H,20,21)
InChIKeyHQBNMFSTHQORJE-UHFFFAOYSA-N
XLogP4.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid?
The IUPAC name of 4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid (CID 57386408) is 4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid.
What is the SMILES notation for 4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid?
The canonical SMILES for 4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid is O=C(O)c1ccc(-c2ccc3cc(O)ccc3c2Br)cc1.
What is the InChIKey of 4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid?
The InChIKey is HQBNMFSTHQORJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO3/c18-16-14(10-1-3-11(4-2-10)17(20)21)7-5-12-9-13(19)6-8-15(12)16/h1-9,19H,(H,20,21).
What are the key properties of 4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid?
4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid has a molecular weight of 343.18 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid is sourced from PubChem (CID 57386408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).