3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol

C16H15IO2 — CID 115837843

IUPAC3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
SMILESOC(c1ccccc1I)c1cccc2c1OCCC2
InChIInChI=1S/C16H15IO2/c17-14-9-2-1-7-12(14)15(18)13-8-3-5-11-6-4-10-19-16(11)13/h1-3,5,7-9,15,18H,4,6,10H2
InChIKeyXGHUXRGKYLOILF-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.70
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol

3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol (PubChem CID 115837843) has the molecular formula C16H15IO2 and a molecular weight of 366.20 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
PubChem CID115837843
Molecular FormulaC16H15IO2
Molecular Weight366.20 g/mol
Exact Mass366.01
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
SMILESOC(c1ccccc1I)c1cccc2c1OCCC2
InChIInChI=1S/C16H15IO2/c17-14-9-2-1-7-12(14)15(18)13-8-3-5-11-6-4-10-19-16(11)13/h1-3,5,7-9,15,18H,4,6,10H2
InChIKeyXGHUXRGKYLOILF-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.70
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

2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
CID 115838946
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 106694050
(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743779
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 115837822
(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107538517
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
(2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744548
3,4-dihydro-2H-chromen-8-yl(pyrazolo[1,5-a]pyridin-3-yl)methanol
CID 103129264

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol (CID 115837843) is 3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol is OC(c1ccccc1I)c1cccc2c1OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol?
The InChIKey is XGHUXRGKYLOILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO2/c17-14-9-2-1-7-12(14)15(18)13-8-3-5-11-6-4-10-19-16(11)13/h1-3,5,7-9,15,18H,4,6,10H2.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol?
3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol has a molecular weight of 366.20 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol is sourced from PubChem (CID 115837843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).