2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol

C31H38O3 — CID 139952304

IUPAC2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol
SMILESCCc1cc(C2(c3ccc(O)c(CC)c3)CCC(C(C)(C)c3ccc(O)cc3)CC2)ccc1O
InChIInChI=1S/C31H38O3/c1-5-21-19-25(9-13-28(21)33)31(26-10-14-29(34)22(6-2)20-26)17-15-24(16-18-31)30(3,4)23-7-11-27(32)12-8-23/h7-14,19-20,24,32-34H,5-6,15-18H2,1-4H3
InChIKeyJPSACDRGGMNFAQ-UHFFFAOYSA-N
MW458.64 g/mol
LogP7.38
Rot. Bonds6

About 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol

2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol (PubChem CID 139952304) has the molecular formula C31H38O3 and a molecular weight of 458.64 g/mol. Its IUPAC name is 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol.

Molecular Properties

Compound Name2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol
PubChem CID139952304
Molecular FormulaC31H38O3
Molecular Weight458.64 g/mol
Exact Mass458.28
IUPAC Name2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol
SMILESCCc1cc(C2(c3ccc(O)c(CC)c3)CCC(C(C)(C)c3ccc(O)cc3)CC2)ccc1O
InChIInChI=1S/C31H38O3/c1-5-21-19-25(9-13-28(21)33)31(26-10-14-29(34)22(6-2)20-26)17-15-24(16-18-31)30(3,4)23-7-11-27(32)12-8-23/h7-14,19-20,24,32-34H,5-6,15-18H2,1-4H3
InChIKeyJPSACDRGGMNFAQ-UHFFFAOYSA-N
XLogP7.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.64
LogP ≤ 57.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 59283725
4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol
CID 165388701
4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol
CID 139833129
4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 158636490
4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol
CID 11034267
2-ethyl-4-(2-methylbutan-2-yl)phenol
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CID 19873642
4-[4-[8-[4,4-bis(4-hydroxy-3-methylphenyl)cyclohexyl]octyl]-1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol
CID 121241213
2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexane-1-carboxylic acid
CID 70906811
4-cyclopropyl-2-ethylphenol
CID 22039039
4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol
CID 22003359
4-(1-adamantyl)-2-ethyl-6-methylphenol;ethane;4-[1,4,4-tris(4-hydroxyphenyl)cyclohexyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol?
The IUPAC name of 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol (CID 139952304) is 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol.
What is the SMILES notation for 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol?
The canonical SMILES for 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol is CCc1cc(C2(c3ccc(O)c(CC)c3)CCC(C(C)(C)c3ccc(O)cc3)CC2)ccc1O.
What is the InChIKey of 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol?
The InChIKey is JPSACDRGGMNFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38O3/c1-5-21-19-25(9-13-28(21)33)31(26-10-14-29(34)22(6-2)20-26)17-15-24(16-18-31)30(3,4)23-7-11-27(32)12-8-23/h7-14,19-20,24,32-34H,5-6,15-18H2,1-4H3.
What are the key properties of 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol?
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol has a molecular weight of 458.64 g/mol, XLogP of 7.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol is sourced from PubChem (CID 139952304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).