1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone

C32H24Br2O2 — CID 158902351

IUPAC1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone
SMILESO=C(CBr)c1cccc2cc3ccccc3cc12.OC(CBr)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C16H11BrO.C16H13BrO/c17-10-16(18)14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14;17-10-16(18)14-6-5-13-7-11-3-1-2-4-12(11)8-15(13)9-14/h1-9H,10H2;1-9,16,18H,10H2
InChIKeyJFPJPYUIEYLPOL-UHFFFAOYSA-N
MW600.35 g/mol
LogP8.99
Rot. Bonds4

About 1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone

1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone (PubChem CID 158902351) has the molecular formula C32H24Br2O2 and a molecular weight of 600.35 g/mol. Its IUPAC name is 1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone.

Molecular Properties

Compound Name1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone
PubChem CID158902351
Molecular FormulaC32H24Br2O2
Molecular Weight600.35 g/mol
Exact Mass598.01
IUPAC Name1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone
SMILESO=C(CBr)c1cccc2cc3ccccc3cc12.OC(CBr)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C16H11BrO.C16H13BrO/c17-10-16(18)14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14;17-10-16(18)14-6-5-13-7-11-3-1-2-4-12(11)8-15(13)9-14/h1-9H,10H2;1-9,16,18H,10H2
InChIKeyJFPJPYUIEYLPOL-UHFFFAOYSA-N
XLogP8.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.35
LogP ≤ 58.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-anthracen-1-yl-4,4,4-trifluorobutane-1,3-dione
CID 87129349
2-bromo-1-(10-bromophenanthren-4-yl)ethanone
CID 125472675
disodium bis(anthracene-1-carboxylate)
CID 155667370
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
CID 116863268
anthracen-2-yl(phenyl)methanol
CID 15685338
2-bromo-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]-N-methylacetamide
CID 118675458
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
fluoro anthracene-1-carboxylate
CID 177083342
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide
CID 125463943
3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one
CID 54562084

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone?
The IUPAC name of 1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone (CID 158902351) is 1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone.
What is the SMILES notation for 1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone?
The canonical SMILES for 1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone is O=C(CBr)c1cccc2cc3ccccc3cc12.OC(CBr)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone?
The InChIKey is JFPJPYUIEYLPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO.C16H13BrO/c17-10-16(18)14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14;17-10-16(18)14-6-5-13-7-11-3-1-2-4-12(11)8-15(13)9-14/h1-9H,10H2;1-9,16,18H,10H2.
What are the key properties of 1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone?
1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone has a molecular weight of 600.35 g/mol, XLogP of 8.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone is sourced from PubChem (CID 158902351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).