5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol

C20H11BrClIO — CID 121450119

IUPAC5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol
SMILESOc1cc(Br)ccc1-c1c(I)c2ccc(Cl)cc2c2ccccc12
InChIInChI=1S/C20H11BrClIO/c21-11-5-7-16(18(24)9-11)19-14-4-2-1-3-13(14)17-10-12(22)6-8-15(17)20(19)23/h1-10,24H
InChIKeyFZSDZUIWCUBZDF-UHFFFAOYSA-N
MW509.57 g/mol
LogP7.39
Rot. Bonds1

About 5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol

5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol (PubChem CID 121450119) has the molecular formula C20H11BrClIO and a molecular weight of 509.57 g/mol. Its IUPAC name is 5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol.

Molecular Properties

Compound Name5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol
PubChem CID121450119
Molecular FormulaC20H11BrClIO
Molecular Weight509.57 g/mol
Exact Mass507.87
IUPAC Name5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol
SMILESOc1cc(Br)ccc1-c1c(I)c2ccc(Cl)cc2c2ccccc12
InChIInChI=1S/C20H11BrClIO/c21-11-5-7-16(18(24)9-11)19-14-4-2-1-3-13(14)17-10-12(22)6-8-15(17)20(19)23/h1-10,24H
InChIKeyFZSDZUIWCUBZDF-UHFFFAOYSA-N
XLogP7.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.57
LogP ≤ 57.39
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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Related Compounds

2-[5-chloro-2-(3-chloro-10-iodophenanthren-9-yl)phenyl]propan-2-ol
CID 118633762
9-(2-bromophenyl)-3-chloro-10-methylphenanthrene
CID 146568672
11-bromobenzo[b]triphenylene-9,14-dione
CID 58151206
2-(4-bromo-2-chlorophenyl)-4-chlorophenol
CID 142753932
2-chloro-6,12-diphenylchrysene
CID 58501171
9-bromo-2-chloro-10-phenylanthracene
CID 90194805
3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol
CID 10523931
2-bromotriphenylene;triphenylen-2-ylboronic acid
CID 160518339
6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan
CID 155105827
lithium;2-bromo-4-chlorophenol;hydride
CID 175213259
3-bromo-5-chloro-2-iodophenol
CID 131489085
2-bromo-7-chlorophenanthrene
CID 177099004

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol?
The IUPAC name of 5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol (CID 121450119) is 5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol.
What is the SMILES notation for 5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol?
The canonical SMILES for 5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol is Oc1cc(Br)ccc1-c1c(I)c2ccc(Cl)cc2c2ccccc12.
What is the InChIKey of 5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol?
The InChIKey is FZSDZUIWCUBZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrClIO/c21-11-5-7-16(18(24)9-11)19-14-4-2-1-3-13(14)17-10-12(22)6-8-15(17)20(19)23/h1-10,24H.
What are the key properties of 5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol?
5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol has a molecular weight of 509.57 g/mol, XLogP of 7.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chloro-10-iodophenanthren-9-yl)phenol is sourced from PubChem (CID 121450119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).