3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol

C17H16I2O — CID 58388444

IUPAC3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol
SMILESCC1(CCCO)c2cc(I)ccc2-c2ccc(I)cc21
InChIInChI=1S/C17H16I2O/c1-17(7-2-8-20)15-9-11(18)3-5-13(15)14-6-4-12(19)10-16(14)17/h3-6,9-10,20H,2,7-8H2,1H3
InChIKeyOFIBZEHKQALWMG-UHFFFAOYSA-N
MW490.12 g/mol
LogP4.95
Rot. Bonds3

About 3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol

3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol (PubChem CID 58388444) has the molecular formula C17H16I2O and a molecular weight of 490.12 g/mol. Its IUPAC name is 3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol
PubChem CID58388444
Molecular FormulaC17H16I2O
Molecular Weight490.12 g/mol
Exact Mass489.93
IUPAC Name3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol
SMILESCC1(CCCO)c2cc(I)ccc2-c2ccc(I)cc21
InChIInChI=1S/C17H16I2O/c1-17(7-2-8-20)15-9-11(18)3-5-13(15)14-6-4-12(19)10-16(14)17/h3-6,9-10,20H,2,7-8H2,1H3
InChIKeyOFIBZEHKQALWMG-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.12
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol?
The IUPAC name of 3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol (CID 58388444) is 3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol.
What is the SMILES notation for 3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol?
The canonical SMILES for 3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol is CC1(CCCO)c2cc(I)ccc2-c2ccc(I)cc21.
What is the InChIKey of 3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol?
The InChIKey is OFIBZEHKQALWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16I2O/c1-17(7-2-8-20)15-9-11(18)3-5-13(15)14-6-4-12(19)10-16(14)17/h3-6,9-10,20H,2,7-8H2,1H3.
What are the key properties of 3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol?
3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol has a molecular weight of 490.12 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol is sourced from PubChem (CID 58388444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).