1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone

C33H30O7 — CID 174419072

IUPAC1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone
SMILESCOC(OC)(C(=O)c1ccc(C(=O)c2ccc(C(=O)C(OC)(OC)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C33H30O7/c1-37-32(38-2,27-11-7-5-8-12-27)30(35)25-19-15-23(16-20-25)29(34)24-17-21-26(22-18-24)31(36)33(39-3,40-4)28-13-9-6-10-14-28/h5-22H,1-4H3
InChIKeyGVZHREFXTMNFKQ-UHFFFAOYSA-N
MW538.60 g/mol
LogP5.57
Rot. Bonds12

About 1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone

1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone (PubChem CID 174419072) has the molecular formula C33H30O7 and a molecular weight of 538.60 g/mol. Its IUPAC name is 1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone
PubChem CID174419072
Molecular FormulaC33H30O7
Molecular Weight538.60 g/mol
Exact Mass538.20
IUPAC Name1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone
SMILESCOC(OC)(C(=O)c1ccc(C(=O)c2ccc(C(=O)C(OC)(OC)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C33H30O7/c1-37-32(38-2,27-11-7-5-8-12-27)30(35)25-19-15-23(16-20-25)29(34)24-17-21-26(22-18-24)31(36)33(39-3,40-4)28-13-9-6-10-14-28/h5-22H,1-4H3
InChIKeyGVZHREFXTMNFKQ-UHFFFAOYSA-N
XLogP5.57
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.60
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethoxy-1,2-diphenylethanone;molecular iodine
CID 161260552
2,2-dimethoxy-1,2-diphenylethanone;diphenylmethanone;(1-hydroxycyclohexyl)-phenylmethanone
CID 159035325
1-(3-tert-butylphenyl)-2,2-dimethoxy-2-phenylethanone
CID 15697899
[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-methoxy-2-methylperoxy-1,2-diphenylethanone;prop-2-enoic acid
CID 88598506
2,2-dimethoxy-1,2-diphenylethanone;ethyl 4-(dimethylamino)benzoate
CID 160513933
2,2-bis(2-methoxyethoxy)-1,2-diphenylethanone
CID 14762562
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
CID 135045078
CID 135045078
12-[4-(2,2-dimethoxy-2-phenylacetyl)phenyl]dodecyl 2-methylprop-2-enoate
CID 129036125
2,2-dimethoxy-2-(4-methylphenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 54425138

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone?
The IUPAC name of 1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone (CID 174419072) is 1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone.
What is the SMILES notation for 1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone?
The canonical SMILES for 1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone is COC(OC)(C(=O)c1ccc(C(=O)c2ccc(C(=O)C(OC)(OC)c3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone?
The InChIKey is GVZHREFXTMNFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O7/c1-37-32(38-2,27-11-7-5-8-12-27)30(35)25-19-15-23(16-20-25)29(34)24-17-21-26(22-18-24)31(36)33(39-3,40-4)28-13-9-6-10-14-28/h5-22H,1-4H3.
What are the key properties of 1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone?
1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone has a molecular weight of 538.60 g/mol, XLogP of 5.57, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,2-dimethoxy-2-phenylacetyl)benzoyl]phenyl]-2,2-dimethoxy-2-phenylethanone is sourced from PubChem (CID 174419072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).