2,2-dichloro-1-phenanthren-9-ylethanone

C16H10Cl2O — CID 146007827

IUPAC2,2-dichloro-1-phenanthren-9-ylethanone
SMILESO=C(c1cc2ccccc2c2ccccc12)C(Cl)Cl
InChIInChI=1S/C16H10Cl2O/c17-16(18)15(19)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16H
InChIKeyCJNZKBRNGVBWSQ-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.98
Rot. Bonds2

About 2,2-dichloro-1-phenanthren-9-ylethanone

2,2-dichloro-1-phenanthren-9-ylethanone (PubChem CID 146007827) has the molecular formula C16H10Cl2O and a molecular weight of 289.16 g/mol. Its IUPAC name is 2,2-dichloro-1-phenanthren-9-ylethanone.

Molecular Properties

Compound Name2,2-dichloro-1-phenanthren-9-ylethanone
PubChem CID146007827
Molecular FormulaC16H10Cl2O
Molecular Weight289.16 g/mol
Exact Mass288.01
IUPAC Name2,2-dichloro-1-phenanthren-9-ylethanone
SMILESO=C(c1cc2ccccc2c2ccccc12)C(Cl)Cl
InChIInChI=1S/C16H10Cl2O/c17-16(18)15(19)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16H
InChIKeyCJNZKBRNGVBWSQ-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 54.98
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'}

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Related Compounds

3-ethynyl-1-phenanthren-9-ylhex-5-yn-1-one
CID 102418880
9-(2-diazopropanoyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 54167444
7-oxo-7-phenanthren-9-ylheptanoic acid
CID 24726938
9-(dichloromethyl)anthracene
CID 4281288
tri(phenanthren-9-yl)arsane
CID 12755575
1-anthracen-9-yl-2-chlorobutan-1-one
CID 146005096
chrysene-6,12-dicarbonyl chloride
CID 139611944
benzo[a]anthracene-9,10-dicarboxylic acid
CID 175115452
9-Phenanthrenoselenocarboxamide
CID 6329602
2-chrysen-6-yl-2-oxoacetic acid
CID 122213993
methyl 7-chlorophenanthrene-9-carboxylate
CID 10730795
1-(1-benzothiophen-2-yl)-2,2-dichloroethanone
CID 141104208

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-phenanthren-9-ylethanone?
The IUPAC name of 2,2-dichloro-1-phenanthren-9-ylethanone (CID 146007827) is 2,2-dichloro-1-phenanthren-9-ylethanone.
What is the SMILES notation for 2,2-dichloro-1-phenanthren-9-ylethanone?
The canonical SMILES for 2,2-dichloro-1-phenanthren-9-ylethanone is O=C(c1cc2ccccc2c2ccccc12)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-phenanthren-9-ylethanone?
The InChIKey is CJNZKBRNGVBWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O/c17-16(18)15(19)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16H.
What are the key properties of 2,2-dichloro-1-phenanthren-9-ylethanone?
2,2-dichloro-1-phenanthren-9-ylethanone has a molecular weight of 289.16 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-phenanthren-9-ylethanone is sourced from PubChem (CID 146007827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).