[4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone

C22H16Cl2O2 — CID 71442703

IUPAC[4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone
SMILESO=C(c1ccc(CCl)cc1)c1ccc(C(=O)c2ccc(CCl)cc2)cc1
InChIInChI=1S/C22H16Cl2O2/c23-13-15-1-5-17(6-2-15)21(25)19-9-11-20(12-10-19)22(26)18-7-3-16(14-24)4-8-18/h1-12H,13-14H2
InChIKeyUNSPTBNMLNKKIT-UHFFFAOYSA-N
MW383.27 g/mol
LogP5.63
Rot. Bonds6

About [4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone

[4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone (PubChem CID 71442703) has the molecular formula C22H16Cl2O2 and a molecular weight of 383.27 g/mol. Its IUPAC name is [4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone
PubChem CID71442703
Molecular FormulaC22H16Cl2O2
Molecular Weight383.27 g/mol
Exact Mass382.05
IUPAC Name[4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone
SMILESO=C(c1ccc(CCl)cc1)c1ccc(C(=O)c2ccc(CCl)cc2)cc1
InChIInChI=1S/C22H16Cl2O2/c23-13-15-1-5-17(6-2-15)21(25)19-9-11-20(12-10-19)22(26)18-7-3-16(14-24)4-8-18/h1-12H,13-14H2
InChIKeyUNSPTBNMLNKKIT-UHFFFAOYSA-N
XLogP5.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.27
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(chloromethyl)phenyl]-(4-methylphenyl)methanone
CID 22000974
[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone
CID 18779900
CID 70258691
CID 70258691
4-(chloromethyl)benzenecarbothioic S-acid
CID 23063088
2-[4-(chloromethyl)phenyl]-2-oxoacetic acid
CID 3082706
1-(1-chloroethenyl)-4-(chloromethyl)benzene
CID 58564593
[3-(chloromethyl)phenyl]-phenylmethanone
CID 12677421
ethanol;methyl 4-(chloromethyl)benzoate
CID 175390968
4-(chloromethyl)-N',N'-dimethylbenzohydrazide
CID 83011386
6-[4-(chloromethyl)benzoyl]oxyhexyl 4-(chloromethyl)benzoate
CID 102078601
4-(chloromethyl)-N,N-di(propan-2-yl)benzamide
CID 98000579
(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone
CID 19689380

Frequently Asked Questions

What is the IUPAC name of [4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone?
The IUPAC name of [4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone (CID 71442703) is [4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone.
What is the SMILES notation for [4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone?
The canonical SMILES for [4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone is O=C(c1ccc(CCl)cc1)c1ccc(C(=O)c2ccc(CCl)cc2)cc1.
What is the InChIKey of [4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone?
The InChIKey is UNSPTBNMLNKKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2O2/c23-13-15-1-5-17(6-2-15)21(25)19-9-11-20(12-10-19)22(26)18-7-3-16(14-24)4-8-18/h1-12H,13-14H2.
What are the key properties of [4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone?
[4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone has a molecular weight of 383.27 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone is sourced from PubChem (CID 71442703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).