2-chloro-5-iodo-4-propan-2-yloxybenzoic acid

C10H10ClIO3 — CID 58801717

IUPAC2-chloro-5-iodo-4-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1cc(Cl)c(C(=O)O)cc1I
InChIInChI=1S/C10H10ClIO3/c1-5(2)15-9-4-7(11)6(10(13)14)3-8(9)12/h3-5H,1-2H3,(H,13,14)
InChIKeySFTNKFGXJVXCPP-UHFFFAOYSA-N
MW340.54 g/mol
LogP3.43
Rot. Bonds3

About 2-chloro-5-iodo-4-propan-2-yloxybenzoic acid

2-chloro-5-iodo-4-propan-2-yloxybenzoic acid (PubChem CID 58801717) has the molecular formula C10H10ClIO3 and a molecular weight of 340.54 g/mol. Its IUPAC name is 2-chloro-5-iodo-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name2-chloro-5-iodo-4-propan-2-yloxybenzoic acid
PubChem CID58801717
Molecular FormulaC10H10ClIO3
Molecular Weight340.54 g/mol
Exact Mass339.94
IUPAC Name2-chloro-5-iodo-4-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1cc(Cl)c(C(=O)O)cc1I
InChIInChI=1S/C10H10ClIO3/c1-5(2)15-9-4-7(11)6(10(13)14)3-8(9)12/h3-5H,1-2H3,(H,13,14)
InChIKeySFTNKFGXJVXCPP-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
5-chloro-2-methoxy-4-propan-2-yloxybenzoic acid
CID 54184190
5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid
CID 118331973
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
(E)-4-(4,5-dichloro-2-propan-2-yloxyphenyl)-4-oxobut-2-enoic acid
CID 82553860
4-chloro-1-iodo-2-propan-2-yloxybenzene
CID 142659279
5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid
CID 100582842
2,4-dichloro-5-(difluoromethoxy)benzoic acid
CID 119020292
2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid
CID 28672335
2-chloro-4,5-di(propan-2-yloxy)phenol
CID 82268188

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-4-propan-2-yloxybenzoic acid?
The IUPAC name of 2-chloro-5-iodo-4-propan-2-yloxybenzoic acid (CID 58801717) is 2-chloro-5-iodo-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 2-chloro-5-iodo-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 2-chloro-5-iodo-4-propan-2-yloxybenzoic acid is CC(C)Oc1cc(Cl)c(C(=O)O)cc1I.
What is the InChIKey of 2-chloro-5-iodo-4-propan-2-yloxybenzoic acid?
The InChIKey is SFTNKFGXJVXCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIO3/c1-5(2)15-9-4-7(11)6(10(13)14)3-8(9)12/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-chloro-5-iodo-4-propan-2-yloxybenzoic acid?
2-chloro-5-iodo-4-propan-2-yloxybenzoic acid has a molecular weight of 340.54 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 58801717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).