8-hydroxy-7-iodo-1-benzoxepin-3-one

C10H7IO3 — CID 11289622

IUPAC8-hydroxy-7-iodo-1-benzoxepin-3-one
SMILESO=C1C=Cc2cc(I)c(O)cc2OC1
InChIInChI=1S/C10H7IO3/c11-8-3-6-1-2-7(12)5-14-10(6)4-9(8)13/h1-4,13H,5H2
InChIKeyCCYSGMQXCRCBJP-UHFFFAOYSA-N
MW302.07 g/mol
LogP1.97
Rot. Bonds

About 8-hydroxy-7-iodo-1-benzoxepin-3-one

8-hydroxy-7-iodo-1-benzoxepin-3-one (PubChem CID 11289622) has the molecular formula C10H7IO3 and a molecular weight of 302.07 g/mol. Its IUPAC name is 8-hydroxy-7-iodo-1-benzoxepin-3-one.

Molecular Properties

Compound Name8-hydroxy-7-iodo-1-benzoxepin-3-one
PubChem CID11289622
Molecular FormulaC10H7IO3
Molecular Weight302.07 g/mol
Exact Mass301.94
IUPAC Name8-hydroxy-7-iodo-1-benzoxepin-3-one
SMILESO=C1C=Cc2cc(I)c(O)cc2OC1
InChIInChI=1S/C10H7IO3/c11-8-3-6-1-2-7(12)5-14-10(6)4-9(8)13/h1-4,13H,5H2
InChIKeyCCYSGMQXCRCBJP-UHFFFAOYSA-N
XLogP1.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-1,3-benzodioxol-5-ol
CID 11173090
2,5-diiodobenzene-1,4-diol
CID 18504287
2,4,5-triiodophenol
CID 18369900
3-hydroxy-5-iodopyran-4-one
CID 118568116
6,7-dihydroxy-2,3-dihydrochromen-4-one
CID 23244452
7-ethyl-5-hydroxy-1-benzoxepin-3-one
CID 143309880
7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one
CID 22625608
4,6-dihydroxy-7-methyl-1-benzofuran-3-one
CID 14282792
furan-3-one;methanol
CID 157418992
3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol
CID 10711463
1H-2-benzoxepin-3-one
CID 102501510
6-(bromomethyl)-1,3-benzodioxol-5-ol
CID 130132308

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-iodo-1-benzoxepin-3-one?
The IUPAC name of 8-hydroxy-7-iodo-1-benzoxepin-3-one (CID 11289622) is 8-hydroxy-7-iodo-1-benzoxepin-3-one.
What is the SMILES notation for 8-hydroxy-7-iodo-1-benzoxepin-3-one?
The canonical SMILES for 8-hydroxy-7-iodo-1-benzoxepin-3-one is O=C1C=Cc2cc(I)c(O)cc2OC1.
What is the InChIKey of 8-hydroxy-7-iodo-1-benzoxepin-3-one?
The InChIKey is CCYSGMQXCRCBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IO3/c11-8-3-6-1-2-7(12)5-14-10(6)4-9(8)13/h1-4,13H,5H2.
What are the key properties of 8-hydroxy-7-iodo-1-benzoxepin-3-one?
8-hydroxy-7-iodo-1-benzoxepin-3-one has a molecular weight of 302.07 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-iodo-1-benzoxepin-3-one is sourced from PubChem (CID 11289622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).