4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol

C64H80O6 — CID 89349013

IUPAC4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol
SMILESCc1cc(C(c2ccc3ccc(C(c4cc(C)c(O)c(C)c4C)c4cc(C)c(OC(C)OC5CCCCC5)c(C)c4C)cc3c2)c2cc(C)c(OC(C)OC3CCCCC3)c(C)c2C)c(C)c(C)c1O
InChIInChI=1S/C64H80O6/c1-35-29-55(39(5)43(9)61(35)65)59(57-31-37(3)63(45(11)41(57)7)69-47(13)67-53-21-17-15-18-22-53)50-27-25-49-26-28-51(34-52(49)33-50)60(56-30-36(2)62(66)44(10)40(56)6)58-32-38(4)64(46(12)42(58)8)70-48(14)68-54-23-19-16-20-24-54/h25-34,47-48,53-54,59-60,65-66H,15-24H2,1-14H3
InChIKeySSGAMASYCPHYDV-UHFFFAOYSA-N
MW945.34 g/mol
LogP16.46
Rot. Bonds14

About 4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol

4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol (PubChem CID 89349013) has the molecular formula C64H80O6 and a molecular weight of 945.34 g/mol. Its IUPAC name is 4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol
PubChem CID89349013
Molecular FormulaC64H80O6
Molecular Weight945.34 g/mol
Exact Mass944.60
IUPAC Name4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol
SMILESCc1cc(C(c2ccc3ccc(C(c4cc(C)c(O)c(C)c4C)c4cc(C)c(OC(C)OC5CCCCC5)c(C)c4C)cc3c2)c2cc(C)c(OC(C)OC3CCCCC3)c(C)c2C)c(C)c(C)c1O
InChIInChI=1S/C64H80O6/c1-35-29-55(39(5)43(9)61(35)65)59(57-31-37(3)63(45(11)41(57)7)69-47(13)67-53-21-17-15-18-22-53)50-27-25-49-26-28-51(34-52(49)33-50)60(56-30-36(2)62(66)44(10)40(56)6)58-32-38(4)64(46(12)42(58)8)70-48(14)68-54-23-19-16-20-24-54/h25-34,47-48,53-54,59-60,65-66H,15-24H2,1-14H3
InChIKeySSGAMASYCPHYDV-UHFFFAOYSA-N
XLogP16.46
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.34
LogP ≤ 516.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol with MolForge

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Related Compounds

4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol
CID 58332436
tert-butyl 2-[4-[[7-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenoxy]acetate
CID 89349016
4-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]benzene-1,2-diol;4-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]benzene-1,2-diol
CID 157123763
4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol
CID 59746015
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene
CID 22726294
1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene
CID 22057357
2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol
CID 3022568
1-cyclohexyloxyethyl 4-methylbenzenesulfonate
CID 20505092
[2-iodo-1-(4-methylphenyl)ethoxy]cycloheptane
CID 114773753
2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
CID 143471865
dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 162418915

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol?
The IUPAC name of 4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol (CID 89349013) is 4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol.
What is the SMILES notation for 4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol?
The canonical SMILES for 4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol is Cc1cc(C(c2ccc3ccc(C(c4cc(C)c(O)c(C)c4C)c4cc(C)c(OC(C)OC5CCCCC5)c(C)c4C)cc3c2)c2cc(C)c(OC(C)OC3CCCCC3)c(C)c2C)c(C)c(C)c1O.
What is the InChIKey of 4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol?
The InChIKey is SSGAMASYCPHYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H80O6/c1-35-29-55(39(5)43(9)61(35)65)59(57-31-37(3)63(45(11)41(57)7)69-47(13)67-53-21-17-15-18-22-53)50-27-25-49-26-28-51(34-52(49)33-50)60(56-30-36(2)62(66)44(10)40(56)6)58-32-38(4)64(46(12)42(58)8)70-48(14)68-54-23-19-16-20-24-54/h25-34,47-48,53-54,59-60,65-66H,15-24H2,1-14H3.
What are the key properties of 4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol?
4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol has a molecular weight of 945.34 g/mol, XLogP of 16.46, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol is sourced from PubChem (CID 89349013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).