1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone

C26H28O7 — CID 102130083

IUPAC1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(C(=O)c2ccccc2)c2cc(OC)c(OC)cc2OC)cc1OC
InChIInChI=1S/C26H28O7/c1-28-19-14-23(32-5)21(30-3)12-17(19)25(26(27)16-10-8-7-9-11-16)18-13-22(31-4)24(33-6)15-20(18)29-2/h7-15,25H,1-6H3
InChIKeyNFDOKRLQYUKSQW-UHFFFAOYSA-N
MW452.50 g/mol
LogP4.75
Rot. Bonds10

About 1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone

1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone (PubChem CID 102130083) has the molecular formula C26H28O7 and a molecular weight of 452.50 g/mol. Its IUPAC name is 1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone
PubChem CID102130083
Molecular FormulaC26H28O7
Molecular Weight452.50 g/mol
Exact Mass452.18
IUPAC Name1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(C(=O)c2ccccc2)c2cc(OC)c(OC)cc2OC)cc1OC
InChIInChI=1S/C26H28O7/c1-28-19-14-23(32-5)21(30-3)12-17(19)25(26(27)16-10-8-7-9-11-16)18-13-22(31-4)24(33-6)15-20(18)29-2/h7-15,25H,1-6H3
InChIKeyNFDOKRLQYUKSQW-UHFFFAOYSA-N
XLogP4.75
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-phenyl-2-(2,4,5-trimethoxyphenyl)propan-1-one
CID 69180019
2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
CID 71357609
2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 116769401
3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 174884025
2-(2,5-dimethoxyphenyl)-1-phenylbutane-1,3-dione
CID 102159626
methyl 2-(benzenecarbonothioylamino)-2-[2-[1-(benzenecarbonothioylamino)-2-methoxy-2-oxoethyl]-4,5-dimethoxyphenyl]acetate
CID 23257111
1-[chloro(phenyl)methyl]-2,4,5-trimethoxybenzene
CID 61083307
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone
CID 10360372
2-hydroxy-2-(4-methoxy-3-methylphenyl)-1-phenylethanone
CID 129094734
[1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate
CID 46198272

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone (CID 102130083) is 1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone is COc1cc(OC)c(C(C(=O)c2ccccc2)c2cc(OC)c(OC)cc2OC)cc1OC.
What is the InChIKey of 1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone?
The InChIKey is NFDOKRLQYUKSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O7/c1-28-19-14-23(32-5)21(30-3)12-17(19)25(26(27)16-10-8-7-9-11-16)18-13-22(31-4)24(33-6)15-20(18)29-2/h7-15,25H,1-6H3.
What are the key properties of 1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone?
1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone has a molecular weight of 452.50 g/mol, XLogP of 4.75, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 102130083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).