ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol

C27H38O3 — CID 91273565

IUPACethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
SMILESCC.CC.CC.COc1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C21H20O3.3C2H6/c1-21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24-2)14-8-17;3*1-2/h3-14,22-23H,1-2H3;3*1-2H3
InChIKeyVTELXOZINRFDJF-UHFFFAOYSA-N
MW410.60 g/mol
LogP7.54
Rot. Bonds4

About ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol

ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol (PubChem CID 91273565) has the molecular formula C27H38O3 and a molecular weight of 410.60 g/mol. Its IUPAC name is ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Nameethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
PubChem CID91273565
Molecular FormulaC27H38O3
Molecular Weight410.60 g/mol
Exact Mass410.28
IUPAC Nameethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
SMILESCC.CC.CC.COc1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C21H20O3.3C2H6/c1-21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24-2)14-8-17;3*1-2/h3-14,22-23H,1-2H3;3*1-2H3
InChIKeyVTELXOZINRFDJF-UHFFFAOYSA-N
XLogP7.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten
CID 158462536
methane;4-methoxyphenol
CID 159494332
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;ethane
CID 91392325
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
CID 22051947
[4-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-1-(4-methoxyphenyl)ethyl]phenyl] 2,2-dimethylpropanoate
CID 142863748
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol
CID 140743150
1-methoxy-4-[1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-1-(4-methylphenyl)ethyl]benzene
CID 118446717

Frequently Asked Questions

What is the IUPAC name of ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol?
The IUPAC name of ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol (CID 91273565) is ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol.
What is the SMILES notation for ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol?
The canonical SMILES for ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol is CC.CC.CC.COc1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol?
The InChIKey is VTELXOZINRFDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3.3C2H6/c1-21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24-2)14-8-17;3*1-2/h3-14,22-23H,1-2H3;3*1-2H3.
What are the key properties of ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol?
ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol has a molecular weight of 410.60 g/mol, XLogP of 7.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol is sourced from PubChem (CID 91273565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).