[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone

C51H42O6 — CID 101243710

IUPAC[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone
SMILESCc1c(COc2ccc(C(=O)c3ccccc3)cc2)c(C)c(COc2ccc(C(=O)c3ccccc3)cc2)c(C)c1COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C51H42O6/c1-34-46(31-55-43-25-19-40(20-26-43)49(52)37-13-7-4-8-14-37)35(2)48(33-57-45-29-23-42(24-30-45)51(54)39-17-11-6-12-18-39)36(3)47(34)32-56-44-27-21-41(22-28-44)50(53)38-15-9-5-10-16-38/h4-30H,31-33H2,1-3H3
InChIKeyNNHSXQCYSPHHJX-UHFFFAOYSA-N
MW750.89 g/mol
LogP11.04
Rot. Bonds15

About [4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone

[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone (PubChem CID 101243710) has the molecular formula C51H42O6 and a molecular weight of 750.89 g/mol. Its IUPAC name is [4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone
PubChem CID101243710
Molecular FormulaC51H42O6
Molecular Weight750.89 g/mol
Exact Mass750.30
IUPAC Name[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone
SMILESCc1c(COc2ccc(C(=O)c3ccccc3)cc2)c(C)c(COc2ccc(C(=O)c3ccccc3)cc2)c(C)c1COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C51H42O6/c1-34-46(31-55-43-25-19-40(20-26-43)49(52)37-13-7-4-8-14-37)35(2)48(33-57-45-29-23-42(24-30-45)51(54)39-17-11-6-12-18-39)36(3)47(34)32-56-44-27-21-41(22-28-44)50(53)38-15-9-5-10-16-38/h4-30H,31-33H2,1-3H3
InChIKeyNNHSXQCYSPHHJX-UHFFFAOYSA-N
XLogP11.04
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.89
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
1,3,5-trimethyl-2,4,6-tris(phenoxymethyl)benzene
CID 139065941
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-phenylmethanone
CID 9137989
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone
CID 58819189
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599

Frequently Asked Questions

What is the IUPAC name of [4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone (CID 101243710) is [4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone is Cc1c(COc2ccc(C(=O)c3ccccc3)cc2)c(C)c(COc2ccc(C(=O)c3ccccc3)cc2)c(C)c1COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone?
The InChIKey is NNHSXQCYSPHHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42O6/c1-34-46(31-55-43-25-19-40(20-26-43)49(52)37-13-7-4-8-14-37)35(2)48(33-57-45-29-23-42(24-30-45)51(54)39-17-11-6-12-18-39)36(3)47(34)32-56-44-27-21-41(22-28-44)50(53)38-15-9-5-10-16-38/h4-30H,31-33H2,1-3H3.
What are the key properties of [4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone?
[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone has a molecular weight of 750.89 g/mol, XLogP of 11.04, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 101243710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).