2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol

C16H15IO — CID 61088523

IUPAC2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol
SMILESOC(c1cccc(I)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H15IO/c17-15-6-2-5-13(10-15)16(18)14-8-7-11-3-1-4-12(11)9-14/h2,5-10,16,18H,1,3-4H2
InChIKeyCUBXLYSNDDXBIV-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.86
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol

2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol (PubChem CID 61088523) has the molecular formula C16H15IO and a molecular weight of 350.20 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol
PubChem CID61088523
Molecular FormulaC16H15IO
Molecular Weight350.20 g/mol
Exact Mass350.02
IUPAC Name2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol
SMILESOC(c1cccc(I)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H15IO/c17-15-6-2-5-13(10-15)16(18)14-8-7-11-3-1-4-12(11)9-14/h2,5-10,16,18H,1,3-4H2
InChIKeyCUBXLYSNDDXBIV-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 114194374
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
2,3-dihydro-1H-inden-5-yl(1H-pyrrol-3-yl)methanol
CID 63749815
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
(4-fluorophenyl)-(3-iodophenyl)methanol
CID 61099687
2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol
CID 62919178
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline
CID 43124478
2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol
CID 79217216
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-iodophenyl)methanol
CID 61101436
(2,3-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 61100684
(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 81476719
(3,5-difluorophenyl)-(3-iodophenyl)methanol
CID 115793177

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol (CID 61088523) is 2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol is OC(c1cccc(I)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol?
The InChIKey is CUBXLYSNDDXBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO/c17-15-6-2-5-13(10-15)16(18)14-8-7-11-3-1-4-12(11)9-14/h2,5-10,16,18H,1,3-4H2.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol?
2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol has a molecular weight of 350.20 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol is sourced from PubChem (CID 61088523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).