2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone

C17H15IO2 — CID 43339712

IUPAC2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H15IO2/c1-20-16-8-7-14(18)10-15(16)17(19)13-6-5-11-3-2-4-12(11)9-13/h5-10H,2-4H2,1H3
InChIKeyCYWFHPPGYSTGLH-UHFFFAOYSA-N
MW378.21 g/mol
LogP4.02
Rot. Bonds3

About 2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone

2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone (PubChem CID 43339712) has the molecular formula C17H15IO2 and a molecular weight of 378.21 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone
PubChem CID43339712
Molecular FormulaC17H15IO2
Molecular Weight378.21 g/mol
Exact Mass378.01
IUPAC Name2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H15IO2/c1-20-16-8-7-14(18)10-15(16)17(19)13-6-5-11-3-2-4-12(11)9-13/h5-10H,2-4H2,1H3
InChIKeyCYWFHPPGYSTGLH-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
(6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone
CID 163828161
(5-iodo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63490432
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965738
(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 107959880
(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone
CID 43337349
(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554437
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone
CID 113399939
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43339738

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone (CID 43339712) is 2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone is COc1ccc(I)cc1C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone?
The InChIKey is CYWFHPPGYSTGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IO2/c1-20-16-8-7-14(18)10-15(16)17(19)13-6-5-11-3-2-4-12(11)9-13/h5-10H,2-4H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone?
2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone has a molecular weight of 378.21 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone is sourced from PubChem (CID 43339712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).