1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid

C10H8Cl2O2 — CID 83711945

IUPAC1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C10H8Cl2O2/c11-6-1-2-8(12)7(5-6)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKeyXSYOGNYLQFGXBW-UHFFFAOYSA-N
MW231.08 g/mol
LogP3.11
Rot. Bonds2

About 1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid

1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 83711945) has the molecular formula C10H8Cl2O2 and a molecular weight of 231.08 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid
PubChem CID83711945
Molecular FormulaC10H8Cl2O2
Molecular Weight231.08 g/mol
Exact Mass229.99
IUPAC Name1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C10H8Cl2O2/c11-6-1-2-8(12)7(5-6)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKeyXSYOGNYLQFGXBW-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(2,5-dichlorophenyl)-3-methylcyclohex-4-ene-1,3-dicarboxylic acid
CID 151317562
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485
1-(2-chloro-5-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117395420
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117450845
1-(2-chloro-4,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 105424298
1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84794005
1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
CID 117443353
1-(4-chloro-2,3-dihydroxyphenyl)cyclopentane-1-carboxylic acid
CID 117394993
1-(6-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
CID 117425116
1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117363611

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid (CID 83711945) is 1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is XSYOGNYLQFGXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O2/c11-6-1-2-8(12)7(5-6)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14).
What are the key properties of 1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid?
1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 231.08 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83711945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).