8-bromophenanthren-1-ol

C14H9BrO — CID 171484061

IUPAC8-bromophenanthren-1-ol
SMILESOc1cccc2c1ccc1c(Br)cccc12
InChIInChI=1S/C14H9BrO/c15-13-5-1-3-9-10-4-2-6-14(16)12(10)8-7-11(9)13/h1-8,16H
InChIKeyLHMYTRSLXGUXTF-UHFFFAOYSA-N
MW273.13 g/mol
LogP4.46
Rot. Bonds

About 8-bromophenanthren-1-ol

8-bromophenanthren-1-ol (PubChem CID 171484061) has the molecular formula C14H9BrO and a molecular weight of 273.13 g/mol. Its IUPAC name is 8-bromophenanthren-1-ol.

Molecular Properties

Compound Name8-bromophenanthren-1-ol
PubChem CID171484061
Molecular FormulaC14H9BrO
Molecular Weight273.13 g/mol
Exact Mass271.98
IUPAC Name8-bromophenanthren-1-ol
SMILESOc1cccc2c1ccc1c(Br)cccc12
InChIInChI=1S/C14H9BrO/c15-13-5-1-3-9-10-4-2-6-14(16)12(10)8-7-11(9)13/h1-8,16H
InChIKeyLHMYTRSLXGUXTF-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromophenanthren-1-ol?
The IUPAC name of 8-bromophenanthren-1-ol (CID 171484061) is 8-bromophenanthren-1-ol.
What is the SMILES notation for 8-bromophenanthren-1-ol?
The canonical SMILES for 8-bromophenanthren-1-ol is Oc1cccc2c1ccc1c(Br)cccc12.
What is the InChIKey of 8-bromophenanthren-1-ol?
The InChIKey is LHMYTRSLXGUXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO/c15-13-5-1-3-9-10-4-2-6-14(16)12(10)8-7-11(9)13/h1-8,16H.
What are the key properties of 8-bromophenanthren-1-ol?
8-bromophenanthren-1-ol has a molecular weight of 273.13 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromophenanthren-1-ol is sourced from PubChem (CID 171484061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).