2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol

C41H44O3 — CID 23156082

IUPAC2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol
SMILESCC(C)c1ccc(O)c(C(c2ccccc2)c2cc(C(C)C)cc(C(c3ccccc3)c3cc(C(C)C)ccc3O)c2O)c1
InChIInChI=1S/C41H44O3/c1-25(2)30-17-19-37(42)33(21-30)39(28-13-9-7-10-14-28)35-23-32(27(5)6)24-36(41(35)44)40(29-15-11-8-12-16-29)34-22-31(26(3)4)18-20-38(34)43/h7-27,39-40,42-44H,1-6H3
InChIKeyJJVAPZZWDQMZQN-UHFFFAOYSA-N
MW584.80 g/mol
LogP10.53
Rot. Bonds9

About 2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol

2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol (PubChem CID 23156082) has the molecular formula C41H44O3 and a molecular weight of 584.80 g/mol. Its IUPAC name is 2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol.

Molecular Properties

Compound Name2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol
PubChem CID23156082
Molecular FormulaC41H44O3
Molecular Weight584.80 g/mol
Exact Mass584.33
IUPAC Name2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol
SMILESCC(C)c1ccc(O)c(C(c2ccccc2)c2cc(C(C)C)cc(C(c3ccccc3)c3cc(C(C)C)ccc3O)c2O)c1
InChIInChI=1S/C41H44O3/c1-25(2)30-17-19-37(42)33(21-30)39(28-13-9-7-10-14-28)35-23-32(27(5)6)24-36(41(35)44)40(29-15-11-8-12-16-29)34-22-31(26(3)4)18-20-38(34)43/h7-27,39-40,42-44H,1-6H3
InChIKeyJJVAPZZWDQMZQN-UHFFFAOYSA-N
XLogP10.53
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.80
LogP ≤ 510.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
CID 178165672
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
CID 23156103
2,4-di(propan-2-yl)phenol
CID 18048
4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol
CID 23019029
2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol
CID 23019022
2-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-6-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-4-(2-methylbutan-2-yl)phenol
CID 23156052
3-[bis(4-propan-2-ylphenyl)methyl]-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 139751316
2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
CID 117300056
2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 173006325
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
2,4-di(propan-2-yl)phenol;methane;bis(1-methyl-2,4-di(propan-2-yl)benzene)
CID 162090917
4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol
CID 134202922

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol?
The IUPAC name of 2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol (CID 23156082) is 2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol.
What is the SMILES notation for 2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol?
The canonical SMILES for 2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol is CC(C)c1ccc(O)c(C(c2ccccc2)c2cc(C(C)C)cc(C(c3ccccc3)c3cc(C(C)C)ccc3O)c2O)c1.
What is the InChIKey of 2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol?
The InChIKey is JJVAPZZWDQMZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44O3/c1-25(2)30-17-19-37(42)33(21-30)39(28-13-9-7-10-14-28)35-23-32(27(5)6)24-36(41(35)44)40(29-15-11-8-12-16-29)34-22-31(26(3)4)18-20-38(34)43/h7-27,39-40,42-44H,1-6H3.
What are the key properties of 2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol?
2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol has a molecular weight of 584.80 g/mol, XLogP of 10.53, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol is sourced from PubChem (CID 23156082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).