4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol

C44H42O2 — CID 70559392

IUPAC4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol
SMILESCC(c1ccccc1)c1cc(O)cc(C(C)c2ccccc2)c1-c1c(C(C)c2ccccc2)cc(O)cc1C(C)c1ccccc1
InChIInChI=1S/C44H42O2/c1-29(33-17-9-5-10-18-33)39-25-37(45)26-40(30(2)34-19-11-6-12-20-34)43(39)44-41(31(3)35-21-13-7-14-22-35)27-38(46)28-42(44)32(4)36-23-15-8-16-24-36/h5-32,45-46H,1-4H3
InChIKeyPKGNYVJUBXNNPM-UHFFFAOYSA-N
MW602.82 g/mol
LogP11.37
Rot. Bonds9

About 4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol

4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol (PubChem CID 70559392) has the molecular formula C44H42O2 and a molecular weight of 602.82 g/mol. Its IUPAC name is 4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol.

Molecular Properties

Compound Name4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol
PubChem CID70559392
Molecular FormulaC44H42O2
Molecular Weight602.82 g/mol
Exact Mass602.32
IUPAC Name4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol
SMILESCC(c1ccccc1)c1cc(O)cc(C(C)c2ccccc2)c1-c1c(C(C)c2ccccc2)cc(O)cc1C(C)c1ccccc1
InChIInChI=1S/C44H42O2/c1-29(33-17-9-5-10-18-33)39-25-37(45)26-40(30(2)34-19-11-6-12-20-34)43(39)44-41(31(3)35-21-13-7-14-22-35)27-38(46)28-42(44)32(4)36-23-15-8-16-24-36/h5-32,45-46H,1-4H3
InChIKeyPKGNYVJUBXNNPM-UHFFFAOYSA-N
XLogP11.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.82
LogP ≤ 511.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol with MolForge

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Related Compounds

4-(1-phenylethyl)benzene-1,3-diol
CID 11171903
4-[(1R)-1-phenylethyl]benzene-1,3-diol
CID 139072584
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
2,5-dimethyl-4-(1-phenylethyl)phenol
CID 44719973
4-fluoro-2-(1-phenylethyl)phenol
CID 83382544
4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol
CID 23045364
4-cyclohexyl-3-(1-phenylethyl)phenol
CID 101304185
2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol
CID 1270910
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
ethane;1-phenylethylbenzene
CID 164998811
1-phenylethylbenzene;stibane
CID 174965918

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol?
The IUPAC name of 4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol (CID 70559392) is 4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol.
What is the SMILES notation for 4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol?
The canonical SMILES for 4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol is CC(c1ccccc1)c1cc(O)cc(C(C)c2ccccc2)c1-c1c(C(C)c2ccccc2)cc(O)cc1C(C)c1ccccc1.
What is the InChIKey of 4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol?
The InChIKey is PKGNYVJUBXNNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42O2/c1-29(33-17-9-5-10-18-33)39-25-37(45)26-40(30(2)34-19-11-6-12-20-34)43(39)44-41(31(3)35-21-13-7-14-22-35)27-38(46)28-42(44)32(4)36-23-15-8-16-24-36/h5-32,45-46H,1-4H3.
What are the key properties of 4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol?
4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol has a molecular weight of 602.82 g/mol, XLogP of 11.37, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol is sourced from PubChem (CID 70559392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).