1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid

C14H11BrO3 — CID 117492146

IUPAC1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2c(O)ccc3cc(Br)ccc23)CC1
InChIInChI=1S/C14H11BrO3/c15-9-2-3-10-8(7-9)1-4-11(16)12(10)14(5-6-14)13(17)18/h1-4,7,16H,5-6H2,(H,17,18)
InChIKeyYXIOHIUINAXTOH-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.42
Rot. Bonds2

About 1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid

1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid (PubChem CID 117492146) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is 1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid
PubChem CID117492146
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2c(O)ccc3cc(Br)ccc23)CC1
InChIInChI=1S/C14H11BrO3/c15-9-2-3-10-8(7-9)1-4-11(16)12(10)14(5-6-14)13(17)18/h1-4,7,16H,5-6H2,(H,17,18)
InChIKeyYXIOHIUINAXTOH-UHFFFAOYSA-N
XLogP3.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid (CID 117492146) is 1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2c(O)ccc3cc(Br)ccc23)CC1.
What is the InChIKey of 1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid?
The InChIKey is YXIOHIUINAXTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c15-9-2-3-10-8(7-9)1-4-11(16)12(10)14(5-6-14)13(17)18/h1-4,7,16H,5-6H2,(H,17,18).
What are the key properties of 1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid?
1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid has a molecular weight of 307.14 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117492146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).