1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone

C157H178O17 — CID 91613832

IUPAC1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(OCc2cc(C)c(C)c(C)c2)c(OCc2cc(C)c(C)c(C)c2)c(OCc2cc(C)c(C)c(C)c2)c1.CC(=O)c1cc(OCc2cc(OCc3cc(C)c(C)c(C)c3)c(OCc3cc(C)c(C)c(C)c3)c(OCc3cc(C)c(C)c(C)c3)c2)c(OCc2cc(OCc3cc(C)c(C)c(C)c3)c(OCc3cc(C)c(C)c(C)c3)c(OCc3cc(C)c(C)c(C)c3)c2)c(OCc2cc(OCc3cc(C)c(C)c(C)c3)c(OCc3ccc(C)c(C)c3C)c(OCc3cc(C)c(C)c(C)c3)c2)c1
InChIInChI=1S/C119H134O13.C38H44O4/c1-67-29-30-106(93(27)92(67)26)66-132-118-112(125-59-99-39-76(10)88(22)77(11)40-99)49-104(50-113(118)126-60-100-41-78(12)89(23)79(13)42-100)62-128-115-54-107(94(28)120)53-114(127-61-103-47-108(121-55-95-31-68(2)84(18)69(3)32-95)116(129-63-101-43-80(14)90(24)81(15)44-101)109(48-103)122-56-96-33-70(4)85(19)71(5)34-96)119(115)131-65-105-51-110(123-57-97-35-72(6)86(20)73(7)36-97)117(130-64-102-45-82(16)91(25)83(17)46-102)111(52-105)124-58-98-37-74(8)87(21)75(9)38-98;1-22-11-32(12-23(2)28(22)7)19-40-36-17-35(31(10)39)18-37(41-20-33-13-24(3)29(8)25(4)14-33)38(36)42-21-34-15-26(5)30(9)27(6)16-34/h29-54H,55-66H2,1-28H3;11-18H,19-21H2,1-10H3
InChIKeyOMSKVMABOBAMBZ-UHFFFAOYSA-N
MW2337.13 g/mol
LogP38.57
Rot. Bonds47

About 1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone

1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone (PubChem CID 91613832) has the molecular formula C157H178O17 and a molecular weight of 2337.13 g/mol. Its IUPAC name is 1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone
PubChem CID91613832
Molecular FormulaC157H178O17
Molecular Weight2337.13 g/mol
Exact Mass2335.31
IUPAC Name1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(OCc2cc(C)c(C)c(C)c2)c(OCc2cc(C)c(C)c(C)c2)c(OCc2cc(C)c(C)c(C)c2)c1.CC(=O)c1cc(OCc2cc(OCc3cc(C)c(C)c(C)c3)c(OCc3cc(C)c(C)c(C)c3)c(OCc3cc(C)c(C)c(C)c3)c2)c(OCc2cc(OCc3cc(C)c(C)c(C)c3)c(OCc3cc(C)c(C)c(C)c3)c(OCc3cc(C)c(C)c(C)c3)c2)c(OCc2cc(OCc3cc(C)c(C)c(C)c3)c(OCc3ccc(C)c(C)c3C)c(OCc3cc(C)c(C)c(C)c3)c2)c1
InChIInChI=1S/C119H134O13.C38H44O4/c1-67-29-30-106(93(27)92(67)26)66-132-118-112(125-59-99-39-76(10)88(22)77(11)40-99)49-104(50-113(118)126-60-100-41-78(12)89(23)79(13)42-100)62-128-115-54-107(94(28)120)53-114(127-61-103-47-108(121-55-95-31-68(2)84(18)69(3)32-95)116(129-63-101-43-80(14)90(24)81(15)44-101)109(48-103)122-56-96-33-70(4)85(19)71(5)34-96)119(115)131-65-105-51-110(123-57-97-35-72(6)86(20)73(7)36-97)117(130-64-102-45-82(16)91(25)83(17)46-102)111(52-105)124-58-98-37-74(8)87(21)75(9)38-98;1-22-11-32(12-23(2)28(22)7)19-40-36-17-35(31(10)39)18-37(41-20-33-13-24(3)29(8)25(4)14-33)38(36)42-21-34-15-26(5)30(9)27(6)16-34/h29-54H,55-66H2,1-28H3;11-18H,19-21H2,1-10H3
InChIKeyOMSKVMABOBAMBZ-UHFFFAOYSA-N
XLogP38.57
TPSA172.59 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds47
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002337.13
LogP ≤ 538.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone (CID 91613832) is 1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone is CC(=O)c1cc(OCc2cc(C)c(C)c(C)c2)c(OCc2cc(C)c(C)c(C)c2)c(OCc2cc(C)c(C)c(C)c2)c1.CC(=O)c1cc(OCc2cc(OCc3cc(C)c(C)c(C)c3)c(OCc3cc(C)c(C)c(C)c3)c(OCc3cc(C)c(C)c(C)c3)c2)c(OCc2cc(OCc3cc(C)c(C)c(C)c3)c(OCc3cc(C)c(C)c(C)c3)c(OCc3cc(C)c(C)c(C)c3)c2)c(OCc2cc(OCc3cc(C)c(C)c(C)c3)c(OCc3ccc(C)c(C)c3C)c(OCc3cc(C)c(C)c(C)c3)c2)c1.
What is the InChIKey of 1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone?
The InChIKey is OMSKVMABOBAMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C119H134O13.C38H44O4/c1-67-29-30-106(93(27)92(67)26)66-132-118-112(125-59-99-39-76(10)88(22)77(11)40-99)49-104(50-113(118)126-60-100-41-78(12)89(23)79(13)42-100)62-128-115-54-107(94(28)120)53-114(127-61-103-47-108(121-55-95-31-68(2)84(18)69(3)32-95)116(129-63-101-43-80(14)90(24)81(15)44-101)109(48-103)122-56-96-33-70(4)85(19)71(5)34-96)119(115)131-65-105-51-110(123-57-97-35-72(6)86(20)73(7)36-97)117(130-64-102-45-82(16)91(25)83(17)46-102)111(52-105)124-58-98-37-74(8)87(21)75(9)38-98;1-22-11-32(12-23(2)28(22)7)19-40-36-17-35(31(10)39)18-37(41-20-33-13-24(3)29(8)25(4)14-33)38(36)42-21-34-15-26(5)30(9)27(6)16-34/h29-54H,55-66H2,1-28H3;11-18H,19-21H2,1-10H3.
What are the key properties of 1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone?
1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone has a molecular weight of 2337.13 g/mol, XLogP of 38.57, 47 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 91613832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).