ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol

C38H54O2 — CID 91387150

IUPACethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
SMILESCC.CC.CC.CC.Oc1ccc(CCCc2ccc(-c3ccc(CCCc4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H30O2.4C2H6/c31-29-19-11-25(12-20-29)5-1-3-23-7-15-27(16-8-23)28-17-9-24(10-18-28)4-2-6-26-13-21-30(32)22-14-26;4*1-2/h7-22,31-32H,1-6H2;4*1-2H3
InChIKeyXTHWDIUCYHOWFR-UHFFFAOYSA-N
MW542.85 g/mol
LogP11.22
Rot. Bonds9

About ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol

ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol (PubChem CID 91387150) has the molecular formula C38H54O2 and a molecular weight of 542.85 g/mol. Its IUPAC name is ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol.

Molecular Properties

Compound Nameethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
PubChem CID91387150
Molecular FormulaC38H54O2
Molecular Weight542.85 g/mol
Exact Mass542.41
IUPAC Nameethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
SMILESCC.CC.CC.CC.Oc1ccc(CCCc2ccc(-c3ccc(CCCc4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H30O2.4C2H6/c31-29-19-11-25(12-20-29)5-1-3-23-7-15-27(16-8-23)28-17-9-24(10-18-28)4-2-6-26-13-21-30(32)22-14-26;4*1-2/h7-22,31-32H,1-6H2;4*1-2H3
InChIKeyXTHWDIUCYHOWFR-UHFFFAOYSA-N
XLogP11.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.85
LogP ≤ 511.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol
CID 158673942
4-[4-(6-trimethylsilylhexyl)phenyl]phenol
CID 19763846
4-butylphenol;tungsten
CID 174758928
4-[4-(2-methoxyethyl)phenyl]phenol
CID 174937616
4-[3-[4-(3,3-dimethylbutyl)phenyl]propyl]phenol
CID 58897702
lithium;4-butylphenol;hydride
CID 174758234
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
ethane;4-(4-hydroxyphenyl)phenol;propylbenzene
CID 174751919
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488

Frequently Asked Questions

What is the IUPAC name of ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol?
The IUPAC name of ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol (CID 91387150) is ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol.
What is the SMILES notation for ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol?
The canonical SMILES for ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol is CC.CC.CC.CC.Oc1ccc(CCCc2ccc(-c3ccc(CCCc4ccc(O)cc4)cc3)cc2)cc1.
What is the InChIKey of ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol?
The InChIKey is XTHWDIUCYHOWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2.4C2H6/c31-29-19-11-25(12-20-29)5-1-3-23-7-15-27(16-8-23)28-17-9-24(10-18-28)4-2-6-26-13-21-30(32)22-14-26;4*1-2/h7-22,31-32H,1-6H2;4*1-2H3.
What are the key properties of ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol?
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol has a molecular weight of 542.85 g/mol, XLogP of 11.22, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol is sourced from PubChem (CID 91387150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).