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

C15H13ClO — CID 22000974

IUPAC[4-(chloromethyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(CCl)cc2)cc1
InChIInChI=1S/C15H13ClO/c1-11-2-6-13(7-3-11)15(17)14-8-4-12(10-16)5-9-14/h2-9H,10H2,1H3
InChIKeySCIPXGWYNNRYNF-UHFFFAOYSA-N
MW244.72 g/mol
LogP3.96
Rot. Bonds3

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

[4-(chloromethyl)phenyl]-(4-methylphenyl)methanone (PubChem CID 22000974) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]-(4-methylphenyl)methanone
PubChem CID22000974
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name[4-(chloromethyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(CCl)cc2)cc1
InChIInChI=1S/C15H13ClO/c1-11-2-6-13(7-3-11)15(17)14-8-4-12(10-16)5-9-14/h2-9H,10H2,1H3
InChIKeySCIPXGWYNNRYNF-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-(chloromethyl)phenyl]-(4-methylphenyl)methanone 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

[4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone
CID 71442703
[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone
CID 18779900
1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
CID 22408145
1-(chloromethyl)-4-methylbenzene;S-[(4-methylphenyl)methyl] ethanethioate
CID 161397349
(4-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565
CID 70258691
CID 70258691
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
2-[4-(chloromethyl)phenyl]-2-oxoacetic acid
CID 3082706

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(chloromethyl)phenyl]-(4-methylphenyl)methanone (CID 22000974) is [4-(chloromethyl)phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(chloromethyl)phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(chloromethyl)phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(CCl)cc2)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]-(4-methylphenyl)methanone?
The InChIKey is SCIPXGWYNNRYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-11-2-6-13(7-3-11)15(17)14-8-4-12(10-16)5-9-14/h2-9H,10H2,1H3.
What are the key properties of [4-(chloromethyl)phenyl]-(4-methylphenyl)methanone?
[4-(chloromethyl)phenyl]-(4-methylphenyl)methanone has a molecular weight of 244.72 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 22000974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).