8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one

C10H8ClIO — CID 131340808

IUPAC8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(I)cc(Cl)c21
InChIInChI=1S/C10H8ClIO/c11-8-5-7(12)4-6-2-1-3-9(13)10(6)8/h4-5H,1-3H2
InChIKeyKKTWEKBCQABVRU-UHFFFAOYSA-N
MW306.53 g/mol
LogP3.46
Rot. Bonds

About 8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one

8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 131340808) has the molecular formula C10H8ClIO and a molecular weight of 306.53 g/mol. Its IUPAC name is 8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one
PubChem CID131340808
Molecular FormulaC10H8ClIO
Molecular Weight306.53 g/mol
Exact Mass305.93
IUPAC Name8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(I)cc(Cl)c21
InChIInChI=1S/C10H8ClIO/c11-8-5-7(12)4-6-2-1-3-9(13)10(6)8/h4-5H,1-3H2
InChIKeyKKTWEKBCQABVRU-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one (CID 131340808) is 8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(I)cc(Cl)c21.
What is the InChIKey of 8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is KKTWEKBCQABVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIO/c11-8-5-7(12)4-6-2-1-3-9(13)10(6)8/h4-5H,1-3H2.
What are the key properties of 8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one?
8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 306.53 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-iodo-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 131340808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).