3-(2,3,5,6-tetrabenzylphenyl)phenol

C40H34O — CID 101277718

IUPAC3-(2,3,5,6-tetrabenzylphenyl)phenol
SMILESOc1cccc(-c2c(Cc3ccccc3)c(Cc3ccccc3)cc(Cc3ccccc3)c2Cc2ccccc2)c1
InChIInChI=1S/C40H34O/c41-37-23-13-22-34(29-37)40-38(26-32-18-9-3-10-19-32)35(24-30-14-5-1-6-15-30)28-36(25-31-16-7-2-8-17-31)39(40)27-33-20-11-4-12-21-33/h1-23,28-29,41H,24-27H2
InChIKeyLSUBMZVFXGESBJ-UHFFFAOYSA-N
MW530.71 g/mol
LogP9.42
Rot. Bonds9

About 3-(2,3,5,6-tetrabenzylphenyl)phenol

3-(2,3,5,6-tetrabenzylphenyl)phenol (PubChem CID 101277718) has the molecular formula C40H34O and a molecular weight of 530.71 g/mol. Its IUPAC name is 3-(2,3,5,6-tetrabenzylphenyl)phenol.

Molecular Properties

Compound Name3-(2,3,5,6-tetrabenzylphenyl)phenol
PubChem CID101277718
Molecular FormulaC40H34O
Molecular Weight530.71 g/mol
Exact Mass530.26
IUPAC Name3-(2,3,5,6-tetrabenzylphenyl)phenol
SMILESOc1cccc(-c2c(Cc3ccccc3)c(Cc3ccccc3)cc(Cc3ccccc3)c2Cc2ccccc2)c1
InChIInChI=1S/C40H34O/c41-37-23-13-22-34(29-37)40-38(26-32-18-9-3-10-19-32)35(24-30-14-5-1-6-15-30)28-36(25-31-16-7-2-8-17-31)39(40)27-33-20-11-4-12-21-33/h1-23,28-29,41H,24-27H2
InChIKeyLSUBMZVFXGESBJ-UHFFFAOYSA-N
XLogP9.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.71
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5-tetrabenzylphenol
CID 135379668
octalen-2-ol
CID 174999308
3-(2-benzyl-1,3-oxazol-4-yl)phenol
CID 115046801
3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946
4-(3-benzylphenyl)phenol
CID 101277658
3-(2,3,6-triethylphenyl)phenol
CID 101302512
2-benzylphenol;ethane
CID 91068983
lithium;2-benzylphenol;hydride
CID 174706000
2-(2,3,5-tribenzylphenyl)phenol
CID 101277696
5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol
CID 54444447
sodium;3-benzyl-4-sulfanylphenol;hydride
CID 174668871
4-benzyl-5-butyl-3-methyl-2-phenylphenol
CID 10359307

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5,6-tetrabenzylphenyl)phenol?
The IUPAC name of 3-(2,3,5,6-tetrabenzylphenyl)phenol (CID 101277718) is 3-(2,3,5,6-tetrabenzylphenyl)phenol.
What is the SMILES notation for 3-(2,3,5,6-tetrabenzylphenyl)phenol?
The canonical SMILES for 3-(2,3,5,6-tetrabenzylphenyl)phenol is Oc1cccc(-c2c(Cc3ccccc3)c(Cc3ccccc3)cc(Cc3ccccc3)c2Cc2ccccc2)c1.
What is the InChIKey of 3-(2,3,5,6-tetrabenzylphenyl)phenol?
The InChIKey is LSUBMZVFXGESBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O/c41-37-23-13-22-34(29-37)40-38(26-32-18-9-3-10-19-32)35(24-30-14-5-1-6-15-30)28-36(25-31-16-7-2-8-17-31)39(40)27-33-20-11-4-12-21-33/h1-23,28-29,41H,24-27H2.
What are the key properties of 3-(2,3,5,6-tetrabenzylphenyl)phenol?
3-(2,3,5,6-tetrabenzylphenyl)phenol has a molecular weight of 530.71 g/mol, XLogP of 9.42, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5,6-tetrabenzylphenyl)phenol is sourced from PubChem (CID 101277718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).