(2-iodo-4-methylphenyl)-phenylmethanone

C14H11IO — CID 170986222

IUPAC(2-iodo-4-methylphenyl)-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)c(I)c1
InChIInChI=1S/C14H11IO/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDNEDCEYUKGNYKO-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.83
Rot. Bonds2

About (2-iodo-4-methylphenyl)-phenylmethanone

(2-iodo-4-methylphenyl)-phenylmethanone (PubChem CID 170986222) has the molecular formula C14H11IO and a molecular weight of 322.15 g/mol. Its IUPAC name is (2-iodo-4-methylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-iodo-4-methylphenyl)-phenylmethanone
PubChem CID170986222
Molecular FormulaC14H11IO
Molecular Weight322.15 g/mol
Exact Mass321.99
IUPAC Name(2-iodo-4-methylphenyl)-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)c(I)c1
InChIInChI=1S/C14H11IO/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDNEDCEYUKGNYKO-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-4-methylbenzoic acid
CID 4285392
2-benzoyl-5-methylbenzamide
CID 69123799
(4-bromo-2-iodophenyl)-(3-methylphenyl)methanone
CID 15467561
1-(2-benzoyl-5-methylphenyl)prop-2-en-1-one
CID 141351016
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
CID 617254
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(2-tert-butyl-5-methylphenyl)-phenylmethanone
CID 58452150
(2-isothiocyanato-4-methylphenyl)-phenylmethanone
CID 18975079
S-phenyl 2-benzoyl-4-methylbenzenecarbothioate
CID 10544566
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of (2-iodo-4-methylphenyl)-phenylmethanone?
The IUPAC name of (2-iodo-4-methylphenyl)-phenylmethanone (CID 170986222) is (2-iodo-4-methylphenyl)-phenylmethanone.
What is the SMILES notation for (2-iodo-4-methylphenyl)-phenylmethanone?
The canonical SMILES for (2-iodo-4-methylphenyl)-phenylmethanone is Cc1ccc(C(=O)c2ccccc2)c(I)c1.
What is the InChIKey of (2-iodo-4-methylphenyl)-phenylmethanone?
The InChIKey is DNEDCEYUKGNYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of (2-iodo-4-methylphenyl)-phenylmethanone?
(2-iodo-4-methylphenyl)-phenylmethanone has a molecular weight of 322.15 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-4-methylphenyl)-phenylmethanone is sourced from PubChem (CID 170986222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).