1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone

C15H13IO3 — CID 91863188

IUPAC1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1c(O)cc(OCc2ccccc2)cc1I
InChIInChI=1S/C15H13IO3/c1-10(17)15-13(16)7-12(8-14(15)18)19-9-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3
InChIKeyVWXMEFNBAPVXSD-UHFFFAOYSA-N
MW368.17 g/mol
LogP3.78
Rot. Bonds4

About 1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone

1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone (PubChem CID 91863188) has the molecular formula C15H13IO3 and a molecular weight of 368.17 g/mol. Its IUPAC name is 1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone
PubChem CID91863188
Molecular FormulaC15H13IO3
Molecular Weight368.17 g/mol
Exact Mass367.99
IUPAC Name1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1c(O)cc(OCc2ccccc2)cc1I
InChIInChI=1S/C15H13IO3/c1-10(17)15-13(16)7-12(8-14(15)18)19-9-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3
InChIKeyVWXMEFNBAPVXSD-UHFFFAOYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 53.78
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

1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863489
1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone
CID 91863185
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
2-acetyl-3-amino-5-phenylmethoxybenzonitrile
CID 91863661
1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone
CID 91864206
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
2-(2-acetyl-3-nitro-5-phenylmethoxyphenyl)acetic acid
CID 91863265
ethyl 2-acetyl-3-chloro-5-phenylmethoxybenzoate
CID 91863418
1-(4-phenylmethoxy-2-pyridinyl)ethanone
CID 151357228
2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol
CID 54243876

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone (CID 91863188) is 1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone is CC(=O)c1c(O)cc(OCc2ccccc2)cc1I.
What is the InChIKey of 1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone?
The InChIKey is VWXMEFNBAPVXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO3/c1-10(17)15-13(16)7-12(8-14(15)18)19-9-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3.
What are the key properties of 1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone?
1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone has a molecular weight of 368.17 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 91863188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).