2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol

C23H17Cl2IO — CID 118633762

IUPAC2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(Cl)ccc1-c1c(I)c2ccc(Cl)cc2c2ccccc12
InChIInChI=1S/C23H17Cl2IO/c1-23(2,27)20-12-14(25)8-10-18(20)21-16-6-4-3-5-15(16)19-11-13(24)7-9-17(19)22(21)26/h3-12,27H,1-2H3
InChIKeyHFJTUAXCYSTMCK-UHFFFAOYSA-N
MW507.20 g/mol
LogP7.80
Rot. Bonds2

About 2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol

2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol (PubChem CID 118633762) has the molecular formula C23H17Cl2IO and a molecular weight of 507.20 g/mol. Its IUPAC name is 2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol
PubChem CID118633762
Molecular FormulaC23H17Cl2IO
Molecular Weight507.20 g/mol
Exact Mass505.97
IUPAC Name2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(Cl)ccc1-c1c(I)c2ccc(Cl)cc2c2ccccc12
InChIInChI=1S/C23H17Cl2IO/c1-23(2,27)20-12-14(25)8-10-18(20)21-16-6-4-3-5-15(16)19-11-13(24)7-9-17(19)22(21)26/h3-12,27H,1-2H3
InChIKeyHFJTUAXCYSTMCK-UHFFFAOYSA-N
XLogP7.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.20
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol (CID 118633762) is 2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol is CC(C)(O)c1cc(Cl)ccc1-c1c(I)c2ccc(Cl)cc2c2ccccc12.
What is the InChIKey of 2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol?
The InChIKey is HFJTUAXCYSTMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2IO/c1-23(2,27)20-12-14(25)8-10-18(20)21-16-6-4-3-5-15(16)19-11-13(24)7-9-17(19)22(21)26/h3-12,27H,1-2H3.
What are the key properties of 2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol?
2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol has a molecular weight of 507.20 g/mol, XLogP of 7.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol is sourced from PubChem (CID 118633762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).