(2-iodo-3-methylphenyl)-(4-propylphenyl)methanone

C17H17IO — CID 114029910

IUPAC(2-iodo-3-methylphenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cccc(C)c2I)cc1
InChIInChI=1S/C17H17IO/c1-3-5-13-8-10-14(11-9-13)17(19)15-7-4-6-12(2)16(15)18/h4,6-11H,3,5H2,1-2H3
InChIKeyFTCJWZKAXKLCBR-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.78
Rot. Bonds4

About (2-iodo-3-methylphenyl)-(4-propylphenyl)methanone

(2-iodo-3-methylphenyl)-(4-propylphenyl)methanone (PubChem CID 114029910) has the molecular formula C17H17IO and a molecular weight of 364.23 g/mol. Its IUPAC name is (2-iodo-3-methylphenyl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(2-iodo-3-methylphenyl)-(4-propylphenyl)methanone
PubChem CID114029910
Molecular FormulaC17H17IO
Molecular Weight364.23 g/mol
Exact Mass364.03
IUPAC Name(2-iodo-3-methylphenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cccc(C)c2I)cc1
InChIInChI=1S/C17H17IO/c1-3-5-13-8-10-14(11-9-13)17(19)15-7-4-6-12(2)16(15)18/h4,6-11H,3,5H2,1-2H3
InChIKeyFTCJWZKAXKLCBR-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.78
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

(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
CID 107949654
(3-amino-2-bromophenyl)-(4-propylphenyl)methanone
CID 113367205
(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81480205
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone
CID 116917494
[4-(methylamino)phenyl]-(4-propylphenyl)methanone
CID 116917420
ethane;4-propylbenzoic acid
CID 91047964
[(E)-1,2-bis(2,6-dimethylphenyl)-2-(4-propylbenzoyl)oxyethenyl] 4-propylbenzoate
CID 134263019
(5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone
CID 102706964
[3-(4-butylbenzenecarbothioyl)-2-phenylphenyl]-phenylmethanone
CID 150395112
(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920

Frequently Asked Questions

What is the IUPAC name of (2-iodo-3-methylphenyl)-(4-propylphenyl)methanone?
The IUPAC name of (2-iodo-3-methylphenyl)-(4-propylphenyl)methanone (CID 114029910) is (2-iodo-3-methylphenyl)-(4-propylphenyl)methanone.
What is the SMILES notation for (2-iodo-3-methylphenyl)-(4-propylphenyl)methanone?
The canonical SMILES for (2-iodo-3-methylphenyl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)c2cccc(C)c2I)cc1.
What is the InChIKey of (2-iodo-3-methylphenyl)-(4-propylphenyl)methanone?
The InChIKey is FTCJWZKAXKLCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO/c1-3-5-13-8-10-14(11-9-13)17(19)15-7-4-6-12(2)16(15)18/h4,6-11H,3,5H2,1-2H3.
What are the key properties of (2-iodo-3-methylphenyl)-(4-propylphenyl)methanone?
(2-iodo-3-methylphenyl)-(4-propylphenyl)methanone has a molecular weight of 364.23 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-3-methylphenyl)-(4-propylphenyl)methanone is sourced from PubChem (CID 114029910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).