(10-bromoanthracen-1-yl)methanol

C15H11BrO — CID 13375398

IUPAC(10-bromoanthracen-1-yl)methanol
SMILESOCc1cccc2c(Br)c3ccccc3cc12
InChIInChI=1S/C15H11BrO/c16-15-12-6-2-1-4-10(12)8-14-11(9-17)5-3-7-13(14)15/h1-8,17H,9H2
InChIKeyLGZWQUKBPLPMLI-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.25
Rot. Bonds1

About (10-bromoanthracen-1-yl)methanol

(10-bromoanthracen-1-yl)methanol (PubChem CID 13375398) has the molecular formula C15H11BrO and a molecular weight of 287.16 g/mol. Its IUPAC name is (10-bromoanthracen-1-yl)methanol.

Molecular Properties

Compound Name(10-bromoanthracen-1-yl)methanol
PubChem CID13375398
Molecular FormulaC15H11BrO
Molecular Weight287.16 g/mol
Exact Mass286.00
IUPAC Name(10-bromoanthracen-1-yl)methanol
SMILESOCc1cccc2c(Br)c3ccccc3cc12
InChIInChI=1S/C15H11BrO/c16-15-12-6-2-1-4-10(12)8-14-11(9-17)5-3-7-13(14)15/h1-8,17H,9H2
InChIKeyLGZWQUKBPLPMLI-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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Related Compounds

10-bromoanthracene-1-carboxylic acid;(10-bromoanthracen-1-yl)methanol
CID 158614855
benzo[a]anthracen-8-ylmethanol
CID 25090609
10-bromo-1,8-dinaphthalen-1-ylanthracene
CID 142748884
CID 89220102
CID 89220102
anthracen-9-ylboronic acid;9-bromoanthracene
CID 157130020
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
[1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol
CID 12667018
3-anthracen-1-ylpropane-1,2-diol
CID 175541377
anthracen-1-ylmethanolate
CID 57358748
1-(chloromethyl)anthracene
CID 18004230
CID 66760372
CID 66760372
1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene
CID 159641805

Frequently Asked Questions

What is the IUPAC name of (10-bromoanthracen-1-yl)methanol?
The IUPAC name of (10-bromoanthracen-1-yl)methanol (CID 13375398) is (10-bromoanthracen-1-yl)methanol.
What is the SMILES notation for (10-bromoanthracen-1-yl)methanol?
The canonical SMILES for (10-bromoanthracen-1-yl)methanol is OCc1cccc2c(Br)c3ccccc3cc12.
What is the InChIKey of (10-bromoanthracen-1-yl)methanol?
The InChIKey is LGZWQUKBPLPMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO/c16-15-12-6-2-1-4-10(12)8-14-11(9-17)5-3-7-13(14)15/h1-8,17H,9H2.
What are the key properties of (10-bromoanthracen-1-yl)methanol?
(10-bromoanthracen-1-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 (10-bromoanthracen-1-yl)methanol is sourced from PubChem (CID 13375398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).