2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid

C17H15IO3 — CID 24983609

IUPAC2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCc2cc(Oc3cccc(I)c3)ccc21
InChIInChI=1S/C17H15IO3/c18-13-2-1-3-14(10-13)21-15-6-7-16-11(8-15)4-5-12(16)9-17(19)20/h1-3,6-8,10,12H,4-5,9H2,(H,19,20)/t12-/m0/s1
InChIKeyUHQLLYLBDNJSNU-LBPRGKRZSA-N
MW394.21 g/mol
LogP4.59
Rot. Bonds4

About 2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 24983609) has the molecular formula C17H15IO3 and a molecular weight of 394.21 g/mol. Its IUPAC name is 2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
PubChem CID24983609
Molecular FormulaC17H15IO3
Molecular Weight394.21 g/mol
Exact Mass394.01
IUPAC Name2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCc2cc(Oc3cccc(I)c3)ccc21
InChIInChI=1S/C17H15IO3/c18-13-2-1-3-14(10-13)21-15-6-7-16-11(8-15)4-5-12(16)9-17(19)20/h1-3,6-8,10,12H,4-5,9H2,(H,19,20)/t12-/m0/s1
InChIKeyUHQLLYLBDNJSNU-LBPRGKRZSA-N
XLogP4.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic 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

2-[(1S)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 59021811
2-[(1S)-5-(4-carbamoyl-2-chlorophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24985556
2-[(1S)-5-[2-methyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24985892
2-[5-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 86196999
ethyl 2-[5-[(3-phenoxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]acetate
CID 58755283
2-[(1S)-5-[3-(4-isocyanophenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 170519421
2-[(1S)-5-[4-methoxycarbonyl-2-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24985210
2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 67019087
2-[(1S)-5-[2-(2,2-difluoroethoxy)-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24983767
2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
CID 23111673
2-[5-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 58990641
1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494556

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid?
The IUPAC name of 2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 24983609) is 2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid.
What is the SMILES notation for 2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid?
The canonical SMILES for 2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid is O=C(O)C[C@@H]1CCc2cc(Oc3cccc(I)c3)ccc21.
What is the InChIKey of 2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid?
The InChIKey is UHQLLYLBDNJSNU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15IO3/c18-13-2-1-3-14(10-13)21-15-6-7-16-11(8-15)4-5-12(16)9-17(19)20/h1-3,6-8,10,12H,4-5,9H2,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid?
2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 394.21 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 24983609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).