1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol

C32H36O4S — CID 170080996

IUPAC1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2ccc(S(C)(C)c3ccc(C(C)(O)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H36O4S/c1-31(33,23-7-15-27(35-3)16-8-23)25-11-19-29(20-12-25)37(5,6)30-21-13-26(14-22-30)32(2,34)24-9-17-28(36-4)18-10-24/h7-22,33-34H,1-6H3
InChIKeyAVDXOPWKOYTOBD-UHFFFAOYSA-N
MW516.70 g/mol
LogP6.70
Rot. Bonds8

About 1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol

1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol (PubChem CID 170080996) has the molecular formula C32H36O4S and a molecular weight of 516.70 g/mol. Its IUPAC name is 1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol
PubChem CID170080996
Molecular FormulaC32H36O4S
Molecular Weight516.70 g/mol
Exact Mass516.23
IUPAC Name1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2ccc(S(C)(C)c3ccc(C(C)(O)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H36O4S/c1-31(33,23-7-15-27(35-3)16-8-23)25-11-19-29(20-12-25)37(5,6)30-21-13-26(14-22-30)32(2,34)24-9-17-28(36-4)18-10-24/h7-22,33-34H,1-6H3
InChIKeyAVDXOPWKOYTOBD-UHFFFAOYSA-N
XLogP6.70
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.70
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol with MolForge

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Related Compounds

[2-hydroxy-2-(4-methoxyphenyl)propyl] nitrate
CID 10751764
1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol
CID 175567565
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol
CID 60794949
2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol
CID 114209720
trihydroxy-(4-methoxyphenyl)-λ4-sulfane
CID 91517982
1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol
CID 102829083
1-(2,3-dihydrofuran-5-yl)-1-(4-methoxyphenyl)ethanol
CID 102650458
dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane
CID 91517981
CID 102373172
CID 102373172
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol (CID 170080996) is 1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(C)(O)c2ccc(S(C)(C)c3ccc(C(C)(O)c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is AVDXOPWKOYTOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36O4S/c1-31(33,23-7-15-27(35-3)16-8-23)25-11-19-29(20-12-25)37(5,6)30-21-13-26(14-22-30)32(2,34)24-9-17-28(36-4)18-10-24/h7-22,33-34H,1-6H3.
What are the key properties of 1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol?
1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol has a molecular weight of 516.70 g/mol, XLogP of 6.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 170080996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).