4-iodo-3,4-dihydro-1H-naphthalen-2-one

C10H9IO — CID 138626469

IUPAC4-iodo-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1Cc2ccccc2C(I)C1
InChIInChI=1S/C10H9IO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-4,10H,5-6H2
InChIKeyCRVHFZYGEDLZDZ-UHFFFAOYSA-N
MW272.08 g/mol
LogP2.68
Rot. Bonds

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

4-iodo-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 138626469) has the molecular formula C10H9IO and a molecular weight of 272.08 g/mol. Its IUPAC name is 4-iodo-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name4-iodo-3,4-dihydro-1H-naphthalen-2-one
PubChem CID138626469
Molecular FormulaC10H9IO
Molecular Weight272.08 g/mol
Exact Mass271.97
IUPAC Name4-iodo-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1Cc2ccccc2C(I)C1
InChIInChI=1S/C10H9IO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-4,10H,5-6H2
InChIKeyCRVHFZYGEDLZDZ-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3,4-dihydro-1H-naphthalen-2-one
CID 143469044
9-iodo-9,10-dihydroanthracene
CID 70258846
ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
CID 166479863
CID 58620221
CID 58620221
ethane;tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-one
CID 91439303
ethane;1-methyl-1,3-dihydroinden-2-one
CID 91072401
1,2-diiodo-2,3-dihydro-1H-indene
CID 18913557
1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3702529
CID 177157547
CID 177157547
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol
CID 10033475

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 4-iodo-3,4-dihydro-1H-naphthalen-2-one (CID 138626469) is 4-iodo-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 4-iodo-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 4-iodo-3,4-dihydro-1H-naphthalen-2-one is O=C1Cc2ccccc2C(I)C1.
What is the InChIKey of 4-iodo-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is CRVHFZYGEDLZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-4,10H,5-6H2.
What are the key properties of 4-iodo-3,4-dihydro-1H-naphthalen-2-one?
4-iodo-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 272.08 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 138626469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).