3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid

C17H11ClO3 — CID 57379048

IUPAC3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3cc(O)ccc3c2)c(Cl)c1
InChIInChI=1S/C17H11ClO3/c18-16-9-13(17(20)21)4-6-15(16)12-2-1-11-8-14(19)5-3-10(11)7-12/h1-9,19H,(H,20,21)
InChIKeyLOJBNMQIJIIEPF-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.56
Rot. Bonds2

About 3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid

3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid (PubChem CID 57379048) has the molecular formula C17H11ClO3 and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid.

Molecular Properties

Compound Name3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid
PubChem CID57379048
Molecular FormulaC17H11ClO3
Molecular Weight298.73 g/mol
Exact Mass298.04
IUPAC Name3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3cc(O)ccc3c2)c(Cl)c1
InChIInChI=1S/C17H11ClO3/c18-16-9-13(17(20)21)4-6-15(16)12-2-1-11-8-14(19)5-3-10(11)7-12/h1-9,19H,(H,20,21)
InChIKeyLOJBNMQIJIIEPF-UHFFFAOYSA-N
XLogP4.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid?
The IUPAC name of 3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid (CID 57379048) is 3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid.
What is the SMILES notation for 3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid?
The canonical SMILES for 3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid is O=C(O)c1ccc(-c2ccc3cc(O)ccc3c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid?
The InChIKey is LOJBNMQIJIIEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClO3/c18-16-9-13(17(20)21)4-6-15(16)12-2-1-11-8-14(19)5-3-10(11)7-12/h1-9,19H,(H,20,21).
What are the key properties of 3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid?
3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid has a molecular weight of 298.73 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid is sourced from PubChem (CID 57379048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).