(2-bromoanthracen-9-yl)methanol

C15H11BrO — CID 87382861

IUPAC(2-bromoanthracen-9-yl)methanol
SMILESOCc1c2ccccc2cc2ccc(Br)cc12
InChIInChI=1S/C15H11BrO/c16-12-6-5-11-7-10-3-1-2-4-13(10)15(9-17)14(11)8-12/h1-8,17H,9H2
InChIKeySXJQDZWCKWLWDA-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.25
Rot. Bonds1

About (2-bromoanthracen-9-yl)methanol

(2-bromoanthracen-9-yl)methanol (PubChem CID 87382861) has the molecular formula C15H11BrO and a molecular weight of 287.16 g/mol. Its IUPAC name is (2-bromoanthracen-9-yl)methanol.

Molecular Properties

Compound Name(2-bromoanthracen-9-yl)methanol
PubChem CID87382861
Molecular FormulaC15H11BrO
Molecular Weight287.16 g/mol
Exact Mass286.00
IUPAC Name(2-bromoanthracen-9-yl)methanol
SMILESOCc1c2ccccc2cc2ccc(Br)cc12
InChIInChI=1S/C15H11BrO/c16-12-6-5-11-7-10-3-1-2-4-13(10)15(9-17)14(11)8-12/h1-8,17H,9H2
InChIKeySXJQDZWCKWLWDA-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_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-bromoanthracen-9-yl)methanol?
The IUPAC name of (2-bromoanthracen-9-yl)methanol (CID 87382861) is (2-bromoanthracen-9-yl)methanol.
What is the SMILES notation for (2-bromoanthracen-9-yl)methanol?
The canonical SMILES for (2-bromoanthracen-9-yl)methanol is OCc1c2ccccc2cc2ccc(Br)cc12.
What is the InChIKey of (2-bromoanthracen-9-yl)methanol?
The InChIKey is SXJQDZWCKWLWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO/c16-12-6-5-11-7-10-3-1-2-4-13(10)15(9-17)14(11)8-12/h1-8,17H,9H2.
What are the key properties of (2-bromoanthracen-9-yl)methanol?
(2-bromoanthracen-9-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 (2-bromoanthracen-9-yl)methanol is sourced from PubChem (CID 87382861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).