2,2-dimethoxy-1,2-diphenylethanone;molecular iodine

C16H16I2O3 — CID 161260552

IUPAC2,2-dimethoxy-1,2-diphenylethanone;molecular iodine
SMILESCOC(OC)(C(=O)c1ccccc1)c1ccccc1.II
InChIInChI=1S/C16H16O3.I2/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13;1-2/h3-12H,1-2H3;
InChIKeyVCMKXCMOUQMARY-UHFFFAOYSA-N
MW510.11 g/mol
LogP4.79
Rot. Bonds5

About 2,2-dimethoxy-1,2-diphenylethanone;molecular iodine

2,2-dimethoxy-1,2-diphenylethanone;molecular iodine (PubChem CID 161260552) has the molecular formula C16H16I2O3 and a molecular weight of 510.11 g/mol. Its IUPAC name is 2,2-dimethoxy-1,2-diphenylethanone;molecular iodine.

Molecular Properties

Compound Name2,2-dimethoxy-1,2-diphenylethanone;molecular iodine
PubChem CID161260552
Molecular FormulaC16H16I2O3
Molecular Weight510.11 g/mol
Exact Mass509.92
IUPAC Name2,2-dimethoxy-1,2-diphenylethanone;molecular iodine
SMILESCOC(OC)(C(=O)c1ccccc1)c1ccccc1.II
InChIInChI=1S/C16H16O3.I2/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13;1-2/h3-12H,1-2H3;
InChIKeyVCMKXCMOUQMARY-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.11
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone
CID 174419072
1-(3-tert-butylphenyl)-2,2-dimethoxy-2-phenylethanone
CID 15697899
2-methoxy-2-methylperoxy-1,2-diphenylethanone;prop-2-enoic acid
CID 88598506
2,2-bis(2-methoxyethoxy)-1,2-diphenylethanone
CID 14762562
CID 135045078
CID 135045078
2,2-dimethoxy-1,2-diphenylethanone;diphenylmethanone;(1-hydroxycyclohexyl)-phenylmethanone
CID 159035325
2,2-dimethoxy-1,2-diphenylethanone;ethyl 4-(dimethylamino)benzoate
CID 160513933
[4-[1,1-dimethoxy-2-(4-methoxyphenyl)-2-oxoethyl]phenyl]-diphenylsulfanium
CID 153448773
2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone
CID 139805914
2,2-di(butan-2-yloxy)-1,2-diphenylethanone
CID 19035365
2,2-bis(2-dimethoxyphosphorylethoxy)-1,2-diphenylethanone
CID 21312878
4-[4-(1,1-dimethoxy-2-oxo-2-phenylethyl)phenyl]sulfanylbutane-1-sulfonic acid
CID 59816690

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1,2-diphenylethanone;molecular iodine?
The IUPAC name of 2,2-dimethoxy-1,2-diphenylethanone;molecular iodine (CID 161260552) is 2,2-dimethoxy-1,2-diphenylethanone;molecular iodine.
What is the SMILES notation for 2,2-dimethoxy-1,2-diphenylethanone;molecular iodine?
The canonical SMILES for 2,2-dimethoxy-1,2-diphenylethanone;molecular iodine is COC(OC)(C(=O)c1ccccc1)c1ccccc1.II.
What is the InChIKey of 2,2-dimethoxy-1,2-diphenylethanone;molecular iodine?
The InChIKey is VCMKXCMOUQMARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3.I2/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13;1-2/h3-12H,1-2H3;.
What are the key properties of 2,2-dimethoxy-1,2-diphenylethanone;molecular iodine?
2,2-dimethoxy-1,2-diphenylethanone;molecular iodine has a molecular weight of 510.11 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1,2-diphenylethanone;molecular iodine is sourced from PubChem (CID 161260552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).