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

C16H10Br2O — CID 125472675

IUPAC2-bromo-1-(10-bromophenanthren-4-yl)ethanone
SMILESO=C(CBr)c1cccc2c(Br)cc3ccccc3c12
InChIInChI=1S/C16H10Br2O/c17-9-15(19)13-7-3-6-12-14(18)8-10-4-1-2-5-11(10)16(12)13/h1-8H,9H2
InChIKeyUIDQQGOJCBHAAP-UHFFFAOYSA-N
MW378.06 g/mol
LogP5.33
Rot. Bonds2

About 2-bromo-1-(10-bromophenanthren-4-yl)ethanone

2-bromo-1-(10-bromophenanthren-4-yl)ethanone (PubChem CID 125472675) has the molecular formula C16H10Br2O and a molecular weight of 378.06 g/mol. Its IUPAC name is 2-bromo-1-(10-bromophenanthren-4-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(10-bromophenanthren-4-yl)ethanone
PubChem CID125472675
Molecular FormulaC16H10Br2O
Molecular Weight378.06 g/mol
Exact Mass375.91
IUPAC Name2-bromo-1-(10-bromophenanthren-4-yl)ethanone
SMILESO=C(CBr)c1cccc2c(Br)cc3ccccc3c12
InChIInChI=1S/C16H10Br2O/c17-9-15(19)13-7-3-6-12-14(18)8-10-4-1-2-5-11(10)16(12)13/h1-8H,9H2
InChIKeyUIDQQGOJCBHAAP-UHFFFAOYSA-N
XLogP5.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.06
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(10-bromophenanthren-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(10-bromophenanthren-4-yl)ethanone
CID 600483
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone
CID 130883630
(2,4,6-tribromophenyl) naphthalene-1-carboxylate
CID 4586991
(E)-3-anthracen-9-yl-1-(2-bromophenyl)prop-2-en-1-one
CID 139080207
1-anthracen-2-yl-2-bromoethanol;1-anthracen-1-yl-2-bromoethanone
CID 158902351
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
4-bromopyrene
CID 3014036
N-(2-bromobenzoyl)naphthalene-1-carbohydrazide
CID 23622739
1-(2-acetylphenyl)-2-bromoethanone
CID 10037328
1-bromonaphthalene;formic acid
CID 174427536
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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(10-bromophenanthren-4-yl)ethanone?
The IUPAC name of 2-bromo-1-(10-bromophenanthren-4-yl)ethanone (CID 125472675) is 2-bromo-1-(10-bromophenanthren-4-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(10-bromophenanthren-4-yl)ethanone?
The canonical SMILES for 2-bromo-1-(10-bromophenanthren-4-yl)ethanone is O=C(CBr)c1cccc2c(Br)cc3ccccc3c12.
What is the InChIKey of 2-bromo-1-(10-bromophenanthren-4-yl)ethanone?
The InChIKey is UIDQQGOJCBHAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2O/c17-9-15(19)13-7-3-6-12-14(18)8-10-4-1-2-5-11(10)16(12)13/h1-8H,9H2.
What are the key properties of 2-bromo-1-(10-bromophenanthren-4-yl)ethanone?
2-bromo-1-(10-bromophenanthren-4-yl)ethanone has a molecular weight of 378.06 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(10-bromophenanthren-4-yl)ethanone is sourced from PubChem (CID 125472675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).