2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol

C49H44O4 — CID 23156103

IUPAC2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(c2ccccc2)c2cc(C)cc(C(c3ccccc3)c3cc(C)cc(C(c4ccccc4)c4cc(C)ccc4O)c3O)c2O)c1
InChIInChI=1S/C49H44O4/c1-30-20-22-43(50)37(24-30)45(34-14-8-5-9-15-34)39-26-32(3)28-41(48(39)52)47(36-18-12-7-13-19-36)42-29-33(4)27-40(49(42)53)46(35-16-10-6-11-17-35)38-25-31(2)21-23-44(38)51/h5-29,45-47,50-53H,1-4H3
InChIKeyLOJBPVVRKDTUNO-UHFFFAOYSA-N
MW696.89 g/mol
LogP11.28
Rot. Bonds9

About 2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol

2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol (PubChem CID 23156103) has the molecular formula C49H44O4 and a molecular weight of 696.89 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
PubChem CID23156103
Molecular FormulaC49H44O4
Molecular Weight696.89 g/mol
Exact Mass696.32
IUPAC Name2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(c2ccccc2)c2cc(C)cc(C(c3ccccc3)c3cc(C)cc(C(c4ccccc4)c4cc(C)ccc4O)c3O)c2O)c1
InChIInChI=1S/C49H44O4/c1-30-20-22-43(50)37(24-30)45(34-14-8-5-9-15-34)39-26-32(3)28-41(48(39)52)47(36-18-12-7-13-19-36)42-29-33(4)27-40(49(42)53)46(35-16-10-6-11-17-35)38-25-31(2)21-23-44(38)51/h5-29,45-47,50-53H,1-4H3
InChIKeyLOJBPVVRKDTUNO-UHFFFAOYSA-N
XLogP11.28
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.89
LogP ≤ 511.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol
CID 23156082
2-[(S)-amino(phenyl)methyl]-4-methylphenol
CID 131560802
2-[(1S)-3-hydroxy-1-phenylpropyl]-4-methylphenol
CID 16754102
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
2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol
CID 59775365
4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol
CID 23019029
2-[4,4-bis(dimethylamino)-1-phenylbutyl]-4-methylphenol
CID 16752583
2-[[3-[[4-[(2-hydroxy-5-methylphenyl)diazenyl]-2,5-dimethylphenyl]-phenylmethyl]-2,5-dimethylphenyl]diazenyl]-4-methylphenol
CID 137157437
2,6-bis[bis(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol
CID 86179554
2-[3-[[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
CID 10074968
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol?
The IUPAC name of 2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol (CID 23156103) is 2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol.
What is the SMILES notation for 2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol?
The canonical SMILES for 2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol is Cc1ccc(O)c(C(c2ccccc2)c2cc(C)cc(C(c3ccccc3)c3cc(C)cc(C(c4ccccc4)c4cc(C)ccc4O)c3O)c2O)c1.
What is the InChIKey of 2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol?
The InChIKey is LOJBPVVRKDTUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44O4/c1-30-20-22-43(50)37(24-30)45(34-14-8-5-9-15-34)39-26-32(3)28-41(48(39)52)47(36-18-12-7-13-19-36)42-29-33(4)27-40(49(42)53)46(35-16-10-6-11-17-35)38-25-31(2)21-23-44(38)51/h5-29,45-47,50-53H,1-4H3.
What are the key properties of 2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol?
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol has a molecular weight of 696.89 g/mol, XLogP of 11.28, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol is sourced from PubChem (CID 23156103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).