1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol

C175H184O21 — CID 159530912

IUPAC1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol
SMILESCc1cc(C(C)(C)c2ccc(C(C)(C)c3cc(C)c(OCC4CO4)c(C)c3)cc2)cc(C)c1OCC(O)COc1c(C)cc(C(C)(C)c2ccc(C(C)(C)c3cc(C)c(OCC4CO4)c(C)c3)cc2)cc1C.Cc1cc2cc(-c3ccc4c(C)c(OCC5CO5)c(C)cc4c3)ccc2c(C)c1OCC(O)COc1c(C)cc2cc(-c3ccc4c(C)c(OCC5CO5)c(C)cc4c3)ccc2c1C.Cc1cc2ccccc2c(-c2c(OCC3CO3)c(C)cc3ccccc23)c1OCC(O)COc1c(C)cc2ccccc2c1-c1c(OCC2CO2)c(C)cc2ccccc12
InChIInChI=1S/C65H80O7.C57H56O7.C53H48O7/c1-39-25-51(62(9,10)47-17-21-49(22-18-47)64(13,14)53-29-43(5)60(44(6)30-53)71-37-56-35-67-56)26-40(2)58(39)69-33-55(66)34-70-59-41(3)27-52(28-42(59)4)63(11,12)48-19-23-50(24-20-48)65(15,16)54-31-45(7)61(46(8)32-54)72-38-57-36-68-57;1-31-17-43-21-39(41-11-15-52-37(7)56(63-29-48-27-59-48)33(3)19-45(52)23-41)9-13-50(43)35(5)54(31)61-25-47(58)26-62-55-32(2)18-44-22-40(10-14-51(44)36(55)6)42-12-16-53-38(8)57(64-30-49-28-60-49)34(4)20-46(53)24-42;1-31-21-35-13-5-9-17-42(35)46(48-44-19-11-7-15-37(44)23-33(3)52(48)59-29-40-27-55-40)50(31)57-25-39(54)26-58-51-32(2)22-36-14-6-10-18-43(36)47(51)49-45-20-12-8-16-38(45)24-34(4)53(49)60-30-41-28-56-41/h17-32,55-57,66H,33-38H2,1-16H3;9-24,47-49,58H,25-30H2,1-8H3;5-24,39-41,54H,25-30H2,1-4H3
InChIKeyMCZFZNLRKZXBFT-UHFFFAOYSA-N
MW2623.38 g/mol
LogP37.55
Rot. Bonds48

About 1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol

1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol (PubChem CID 159530912) has the molecular formula C175H184O21 and a molecular weight of 2623.38 g/mol. Its IUPAC name is 1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol
PubChem CID159530912
Molecular FormulaC175H184O21
Molecular Weight2623.38 g/mol
Exact Mass2621.33
IUPAC Name1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol
SMILESCc1cc(C(C)(C)c2ccc(C(C)(C)c3cc(C)c(OCC4CO4)c(C)c3)cc2)cc(C)c1OCC(O)COc1c(C)cc(C(C)(C)c2ccc(C(C)(C)c3cc(C)c(OCC4CO4)c(C)c3)cc2)cc1C.Cc1cc2cc(-c3ccc4c(C)c(OCC5CO5)c(C)cc4c3)ccc2c(C)c1OCC(O)COc1c(C)cc2cc(-c3ccc4c(C)c(OCC5CO5)c(C)cc4c3)ccc2c1C.Cc1cc2ccccc2c(-c2c(OCC3CO3)c(C)cc3ccccc23)c1OCC(O)COc1c(C)cc2ccccc2c1-c1c(OCC2CO2)c(C)cc2ccccc12
InChIInChI=1S/C65H80O7.C57H56O7.C53H48O7/c1-39-25-51(62(9,10)47-17-21-49(22-18-47)64(13,14)53-29-43(5)60(44(6)30-53)71-37-56-35-67-56)26-40(2)58(39)69-33-55(66)34-70-59-41(3)27-52(28-42(59)4)63(11,12)48-19-23-50(24-20-48)65(15,16)54-31-45(7)61(46(8)32-54)72-38-57-36-68-57;1-31-17-43-21-39(41-11-15-52-37(7)56(63-29-48-27-59-48)33(3)19-45(52)23-41)9-13-50(43)35(5)54(31)61-25-47(58)26-62-55-32(2)18-44-22-40(10-14-51(44)36(55)6)42-12-16-53-38(8)57(64-30-49-28-60-49)34(4)20-46(53)24-42;1-31-21-35-13-5-9-17-42(35)46(48-44-19-11-7-15-37(44)23-33(3)52(48)59-29-40-27-55-40)50(31)57-25-39(54)26-58-51-32(2)22-36-14-6-10-18-43(36)47(51)49-45-20-12-8-16-38(45)24-34(4)53(49)60-30-41-28-56-41/h17-32,55-57,66H,33-38H2,1-16H3;9-24,47-49,58H,25-30H2,1-8H3;5-24,39-41,54H,25-30H2,1-4H3
InChIKeyMCZFZNLRKZXBFT-UHFFFAOYSA-N
XLogP37.55
TPSA246.63 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds48
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002623.38
LogP ≤ 537.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol?
The IUPAC name of 1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol (CID 159530912) is 1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol.
What is the SMILES notation for 1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol?
The canonical SMILES for 1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol is Cc1cc(C(C)(C)c2ccc(C(C)(C)c3cc(C)c(OCC4CO4)c(C)c3)cc2)cc(C)c1OCC(O)COc1c(C)cc(C(C)(C)c2ccc(C(C)(C)c3cc(C)c(OCC4CO4)c(C)c3)cc2)cc1C.Cc1cc2cc(-c3ccc4c(C)c(OCC5CO5)c(C)cc4c3)ccc2c(C)c1OCC(O)COc1c(C)cc2cc(-c3ccc4c(C)c(OCC5CO5)c(C)cc4c3)ccc2c1C.Cc1cc2ccccc2c(-c2c(OCC3CO3)c(C)cc3ccccc23)c1OCC(O)COc1c(C)cc2ccccc2c1-c1c(OCC2CO2)c(C)cc2ccccc12.
What is the InChIKey of 1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol?
The InChIKey is MCZFZNLRKZXBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H80O7.C57H56O7.C53H48O7/c1-39-25-51(62(9,10)47-17-21-49(22-18-47)64(13,14)53-29-43(5)60(44(6)30-53)71-37-56-35-67-56)26-40(2)58(39)69-33-55(66)34-70-59-41(3)27-52(28-42(59)4)63(11,12)48-19-23-50(24-20-48)65(15,16)54-31-45(7)61(46(8)32-54)72-38-57-36-68-57;1-31-17-43-21-39(41-11-15-52-37(7)56(63-29-48-27-59-48)33(3)19-45(52)23-41)9-13-50(43)35(5)54(31)61-25-47(58)26-62-55-32(2)18-44-22-40(10-14-51(44)36(55)6)42-12-16-53-38(8)57(64-30-49-28-60-49)34(4)20-46(53)24-42;1-31-21-35-13-5-9-17-42(35)46(48-44-19-11-7-15-37(44)23-33(3)52(48)59-29-40-27-55-40)50(31)57-25-39(54)26-58-51-32(2)22-36-14-6-10-18-43(36)47(51)49-45-20-12-8-16-38(45)24-34(4)53(49)60-30-41-28-56-41/h17-32,55-57,66H,33-38H2,1-16H3;9-24,47-49,58H,25-30H2,1-8H3;5-24,39-41,54H,25-30H2,1-4H3.
What are the key properties of 1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol?
1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol has a molecular weight of 2623.38 g/mol, XLogP of 37.55, 48 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxy]propan-2-ol;1,3-bis[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol;1,3-bis[[3-methyl-1-[3-methyl-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy]propan-2-ol is sourced from PubChem (CID 159530912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).