2-cyclopentyloxy-5-iodobenzoic acid

C12H13IO3 — CID 82995934

IUPAC2-cyclopentyloxy-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1OC1CCCC1
InChIInChI=1S/C12H13IO3/c13-8-5-6-11(10(7-8)12(14)15)16-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15)
InChIKeyBNNYPKCWUODQPL-UHFFFAOYSA-N
MW332.14 g/mol
LogP3.31
Rot. Bonds3

About 2-cyclopentyloxy-5-iodobenzoic acid

2-cyclopentyloxy-5-iodobenzoic acid (PubChem CID 82995934) has the molecular formula C12H13IO3 and a molecular weight of 332.14 g/mol. Its IUPAC name is 2-cyclopentyloxy-5-iodobenzoic acid.

Molecular Properties

Compound Name2-cyclopentyloxy-5-iodobenzoic acid
PubChem CID82995934
Molecular FormulaC12H13IO3
Molecular Weight332.14 g/mol
Exact Mass331.99
IUPAC Name2-cyclopentyloxy-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1OC1CCCC1
InChIInChI=1S/C12H13IO3/c13-8-5-6-11(10(7-8)12(14)15)16-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15)
InChIKeyBNNYPKCWUODQPL-UHFFFAOYSA-N
XLogP3.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopentyloxy-5-iodobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-2-(oxan-4-yloxy)benzoic acid
CID 82995110
2-(2-hydroxycycloheptyl)oxy-5-iodobenzoic acid
CID 82995256
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid
CID 61379309
2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid
CID 69110406
2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxy-5-iodobenzoic acid
CID 82994954
5-amino-2-(3-hydroxycyclohexyl)oxybenzoic acid
CID 117096010
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-5-iodobenzoic acid?
The IUPAC name of 2-cyclopentyloxy-5-iodobenzoic acid (CID 82995934) is 2-cyclopentyloxy-5-iodobenzoic acid.
What is the SMILES notation for 2-cyclopentyloxy-5-iodobenzoic acid?
The canonical SMILES for 2-cyclopentyloxy-5-iodobenzoic acid is O=C(O)c1cc(I)ccc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-5-iodobenzoic acid?
The InChIKey is BNNYPKCWUODQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IO3/c13-8-5-6-11(10(7-8)12(14)15)16-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15).
What are the key properties of 2-cyclopentyloxy-5-iodobenzoic acid?
2-cyclopentyloxy-5-iodobenzoic acid has a molecular weight of 332.14 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-5-iodobenzoic acid is sourced from PubChem (CID 82995934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).