(6-bromophenanthren-2-yl)methanol

C15H11BrO — CID 15159139

IUPAC(6-bromophenanthren-2-yl)methanol
SMILESOCc1ccc2c(ccc3ccc(Br)cc32)c1
InChIInChI=1S/C15H11BrO/c16-13-5-4-11-2-3-12-7-10(9-17)1-6-14(12)15(11)8-13/h1-8,17H,9H2
InChIKeyYFOUCIXXGUNJPI-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.25
Rot. Bonds1

About (6-bromophenanthren-2-yl)methanol

(6-bromophenanthren-2-yl)methanol (PubChem CID 15159139) has the molecular formula C15H11BrO and a molecular weight of 287.16 g/mol. Its IUPAC name is (6-bromophenanthren-2-yl)methanol.

Molecular Properties

Compound Name(6-bromophenanthren-2-yl)methanol
PubChem CID15159139
Molecular FormulaC15H11BrO
Molecular Weight287.16 g/mol
Exact Mass286.00
IUPAC Name(6-bromophenanthren-2-yl)methanol
SMILESOCc1ccc2c(ccc3ccc(Br)cc32)c1
InChIInChI=1S/C15H11BrO/c16-13-5-4-11-2-3-12-7-10(9-17)1-6-14(12)15(11)8-13/h1-8,17H,9H2
InChIKeyYFOUCIXXGUNJPI-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.25
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 (6-bromophenanthren-2-yl)methanol?
The IUPAC name of (6-bromophenanthren-2-yl)methanol (CID 15159139) is (6-bromophenanthren-2-yl)methanol.
What is the SMILES notation for (6-bromophenanthren-2-yl)methanol?
The canonical SMILES for (6-bromophenanthren-2-yl)methanol is OCc1ccc2c(ccc3ccc(Br)cc32)c1.
What is the InChIKey of (6-bromophenanthren-2-yl)methanol?
The InChIKey is YFOUCIXXGUNJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO/c16-13-5-4-11-2-3-12-7-10(9-17)1-6-14(12)15(11)8-13/h1-8,17H,9H2.
What are the key properties of (6-bromophenanthren-2-yl)methanol?
(6-bromophenanthren-2-yl)methanol has a molecular weight of 287.16 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromophenanthren-2-yl)methanol is sourced from PubChem (CID 15159139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).