8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one

C10H8ClIO — CID 131312486

IUPAC8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2ccc(I)c(Cl)c2C1
InChIInChI=1S/C10H8ClIO/c11-10-8-5-7(13)3-1-6(8)2-4-9(10)12/h2,4H,1,3,5H2
InChIKeyFGKXEXBYVMTEFE-UHFFFAOYSA-N
MW306.53 g/mol
LogP3.00
Rot. Bonds

About 8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one

8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 131312486) has the molecular formula C10H8ClIO and a molecular weight of 306.53 g/mol. Its IUPAC name is 8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one
PubChem CID131312486
Molecular FormulaC10H8ClIO
Molecular Weight306.53 g/mol
Exact Mass305.93
IUPAC Name8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2ccc(I)c(Cl)c2C1
InChIInChI=1S/C10H8ClIO/c11-10-8-5-7(13)3-1-6(8)2-4-9(10)12/h2,4H,1,3,5H2
InChIKeyFGKXEXBYVMTEFE-UHFFFAOYSA-N
XLogP3.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.53
LogP ≤ 53.00
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

4-chloro-5-iodo-2,3-dihydroinden-1-one
CID 127255680
8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 62705257
7-chloro-3,4-dihydro-1H-naphthalen-2-one
CID 4065216
8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one
CID 131320491
8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 4136021
8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one
CID 166937900
4-bromo-5-chloro-1,3-dihydroinden-2-one
CID 170331387
8-(methoxymethoxy)-3,4-dihydro-1H-naphthalen-2-one
CID 158378685
8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride
CID 159949584
6-chloro-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131529370
2,4-dihydro-1H-picen-3-one
CID 91098928
5-iodo-2,3-dihydro-1H-inden-4-ol
CID 23031206

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one (CID 131312486) is 8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2ccc(I)c(Cl)c2C1.
What is the InChIKey of 8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is FGKXEXBYVMTEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIO/c11-10-8-5-7(13)3-1-6(8)2-4-9(10)12/h2,4H,1,3,5H2.
What are the key properties of 8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one?
8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 306.53 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 131312486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).