1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone

C17H19IO — CID 11003050

IUPAC1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone
SMILESC=C1CCC(C)=CCC1CC(=O)c1ccccc1I
InChIInChI=1S/C17H19IO/c1-12-7-9-13(2)14(10-8-12)11-17(19)15-5-3-4-6-16(15)18/h3-6,8,14H,2,7,9-11H2,1H3
InChIKeyZGLGURDLHQSVBV-UHFFFAOYSA-N
MW366.24 g/mol
LogP5.17
Rot. Bonds3

About 1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone

1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone (PubChem CID 11003050) has the molecular formula C17H19IO and a molecular weight of 366.24 g/mol. Its IUPAC name is 1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone
PubChem CID11003050
Molecular FormulaC17H19IO
Molecular Weight366.24 g/mol
Exact Mass366.05
IUPAC Name1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone
SMILESC=C1CCC(C)=CCC1CC(=O)c1ccccc1I
InChIInChI=1S/C17H19IO/c1-12-7-9-13(2)14(10-8-12)11-17(19)15-5-3-4-6-16(15)18/h3-6,8,14H,2,7,9-11H2,1H3
InChIKeyZGLGURDLHQSVBV-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.24
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone 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

2-cyclopropyl-1-(2-iodophenyl)ethanone
CID 114974685
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-iodophenyl)ethanone
CID 115780262
(2R)-1-[(1R)-4-methyl-7-methylidenecyclohept-3-en-1-yl]pent-3-yn-2-ol
CID 11390094
1-(2-iodophenyl)-4,4-dimethylpentan-1-one
CID 114970054
methyl 3-(2-iodophenyl)-3-oxopropanoate
CID 2759370
4-(2-iodophenyl)-4-oxobutanoic acid
CID 24727008
1-(2-iodophenyl)-2-nitroethanone
CID 130707599
2-[1-(2-iodobenzoyl)azetidin-3-yl]acetic acid
CID 64603312
ethyl 2-(2-iodophenyl)prop-2-enoate
CID 131700037
1-(2-iodophenyl)-2-pyridin-2-ylethanone
CID 43118474
1-(2-iodophenyl)-3-methylhexan-1-one
CID 114968780
7-(2-iodophenyl)-7-oxoheptanoic acid
CID 24727011

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone?
The IUPAC name of 1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone (CID 11003050) is 1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone.
What is the SMILES notation for 1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone?
The canonical SMILES for 1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone is C=C1CCC(C)=CCC1CC(=O)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone?
The InChIKey is ZGLGURDLHQSVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IO/c1-12-7-9-13(2)14(10-8-12)11-17(19)15-5-3-4-6-16(15)18/h3-6,8,14H,2,7,9-11H2,1H3.
What are the key properties of 1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone?
1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone has a molecular weight of 366.24 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone is sourced from PubChem (CID 11003050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).