2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol

C39H34O4 — CID 164762157

IUPAC2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol
SMILESCc1cc(-c2cc(C)c(O)c(C(c3cc(-c4ccc(O)c(C)c4)cc(C)c3O)c3cccc4ccccc34)c2)ccc1O
InChIInChI=1S/C39H34O4/c1-22-16-27(12-14-35(22)40)29-18-24(3)38(42)33(20-29)37(32-11-7-9-26-8-5-6-10-31(26)32)34-21-30(19-25(4)39(34)43)28-13-15-36(41)23(2)17-28/h5-21,37,40-43H,1-4H3
InChIKeyDXYQFVPDBLPZHT-UHFFFAOYSA-N
MW566.70 g/mol
LogP9.41
Rot. Bonds5

About 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol

2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol (PubChem CID 164762157) has the molecular formula C39H34O4 and a molecular weight of 566.70 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol.

Molecular Properties

Compound Name2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol
PubChem CID164762157
Molecular FormulaC39H34O4
Molecular Weight566.70 g/mol
Exact Mass566.25
IUPAC Name2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol
SMILESCc1cc(-c2cc(C)c(O)c(C(c3cc(-c4ccc(O)c(C)c4)cc(C)c3O)c3cccc4ccccc34)c2)ccc1O
InChIInChI=1S/C39H34O4/c1-22-16-27(12-14-35(22)40)29-18-24(3)38(42)33(20-29)37(32-11-7-9-26-8-5-6-10-31(26)32)34-21-30(19-25(4)39(34)43)28-13-15-36(41)23(2)17-28/h5-21,37,40-43H,1-4H3
InChIKeyDXYQFVPDBLPZHT-UHFFFAOYSA-N
XLogP9.41
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 59.41
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

4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol
CID 59746015
4-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]-2-methylphenol
CID 118264402
4-anthracen-9-yl-2-methylphenol
CID 156873853
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
1-[(2,3-dihydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]naphthalene-2,3-diol
CID 161485171
4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
CID 138464044
2-methyl-4-(2-propan-2-ylphenyl)phenol
CID 22438316
2-methyl-4-(4-methylnaphthalen-1-yl)phenol
CID 53405300
4-[4-hydroxy-3-[[2-hydroxy-5-[4-hydroxy-3-methyl-5-[1-(4-phenylphenyl)ethyl]phenyl]-3-methylphenyl]-(4-phenylphenyl)methyl]-5-methylphenyl]-2,6-dimethylphenol
CID 164762243
4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
CID 21020641
2-[[2-hydroxy-5-(4-hydroxy-3-methylphenoxy)-3-methylphenyl]-(4-phenylphenyl)methyl]-4-(4-hydroxy-3-methylphenoxy)-6-methylphenol
CID 164762169
1-(2-hydroxynaphthalen-1-yl)-3-methyl-6-phenylnaphthalen-2-ol
CID 58219531

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol?
The IUPAC name of 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol (CID 164762157) is 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol.
What is the SMILES notation for 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol?
The canonical SMILES for 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol is Cc1cc(-c2cc(C)c(O)c(C(c3cc(-c4ccc(O)c(C)c4)cc(C)c3O)c3cccc4ccccc34)c2)ccc1O.
What is the InChIKey of 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol?
The InChIKey is DXYQFVPDBLPZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34O4/c1-22-16-27(12-14-35(22)40)29-18-24(3)38(42)33(20-29)37(32-11-7-9-26-8-5-6-10-31(26)32)34-21-30(19-25(4)39(34)43)28-13-15-36(41)23(2)17-28/h5-21,37,40-43H,1-4H3.
What are the key properties of 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol?
2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol has a molecular weight of 566.70 g/mol, XLogP of 9.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol is sourced from PubChem (CID 164762157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).