1-(10-bromophenanthren-4-yl)ethanone

C16H11BrO — CID 600483

IUPAC1-(10-bromophenanthren-4-yl)ethanone
SMILESCC(=O)c1cccc2c(Br)cc3ccccc3c12
InChIInChI=1S/C16H11BrO/c1-10(18)12-7-4-8-14-15(17)9-11-5-2-3-6-13(11)16(12)14/h2-9H,1H3
InChIKeyIKMTYKAAVDOONE-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.96
Rot. Bonds1

About 1-(10-bromophenanthren-4-yl)ethanone

1-(10-bromophenanthren-4-yl)ethanone (PubChem CID 600483) has the molecular formula C16H11BrO and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-(10-bromophenanthren-4-yl)ethanone.

Molecular Properties

Compound Name1-(10-bromophenanthren-4-yl)ethanone
PubChem CID600483
Molecular FormulaC16H11BrO
Molecular Weight299.17 g/mol
Exact Mass298.00
IUPAC Name1-(10-bromophenanthren-4-yl)ethanone
SMILESCC(=O)c1cccc2c(Br)cc3ccccc3c12
InChIInChI=1S/C16H11BrO/c1-10(18)12-7-4-8-14-15(17)9-11-5-2-3-6-13(11)16(12)14/h2-9H,1H3
InChIKeyIKMTYKAAVDOONE-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(10-bromophenanthren-4-yl)ethanone
CID 125472675
1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone
CID 142402741
1-(3-acetylnaphthalen-2-yl)ethanone
CID 13300196
1-(6-methylnaphthalen-1-yl)ethanone
CID 15563484
4-bromopyrene
CID 3014036
(2,4,6-tribromophenyl) naphthalene-1-carboxylate
CID 4586991
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylethanone
CID 174493325
1-(6,7-dimethoxynaphthalen-1-yl)ethanone
CID 54066039
1-(1-hydroxyanthracen-9-yl)ethanone
CID 21140475
6-bromohexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaen-20-one
CID 122205030
1-(2-acetylphenyl)ethanone;methane
CID 158210616
(E)-3-anthracen-9-yl-1-(2-bromophenyl)prop-2-en-1-one
CID 139080207

Frequently Asked Questions

What is the IUPAC name of 1-(10-bromophenanthren-4-yl)ethanone?
The IUPAC name of 1-(10-bromophenanthren-4-yl)ethanone (CID 600483) is 1-(10-bromophenanthren-4-yl)ethanone.
What is the SMILES notation for 1-(10-bromophenanthren-4-yl)ethanone?
The canonical SMILES for 1-(10-bromophenanthren-4-yl)ethanone is CC(=O)c1cccc2c(Br)cc3ccccc3c12.
What is the InChIKey of 1-(10-bromophenanthren-4-yl)ethanone?
The InChIKey is IKMTYKAAVDOONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO/c1-10(18)12-7-4-8-14-15(17)9-11-5-2-3-6-13(11)16(12)14/h2-9H,1H3.
What are the key properties of 1-(10-bromophenanthren-4-yl)ethanone?
1-(10-bromophenanthren-4-yl)ethanone has a molecular weight of 299.17 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-bromophenanthren-4-yl)ethanone is sourced from PubChem (CID 600483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).