4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol

C34H30O4 — CID 68635784

IUPAC4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol
SMILESCc1cc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)c(C)c3)cc2)ccc1O
InChIInChI=1S/C34H30O4/c1-21-19-27(11-17-31(21)37)33(25-7-13-29(35)14-8-25)23-3-5-24(6-4-23)34(26-9-15-30(36)16-10-26)28-12-18-32(38)22(2)20-28/h3-20,33-38H,1-2H3
InChIKeyARXSPNNYPOCYQL-UHFFFAOYSA-N
MW502.61 g/mol
LogP7.49
Rot. Bonds6

About 4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol

4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol (PubChem CID 68635784) has the molecular formula C34H30O4 and a molecular weight of 502.61 g/mol. Its IUPAC name is 4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol.

Molecular Properties

Compound Name4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol
PubChem CID68635784
Molecular FormulaC34H30O4
Molecular Weight502.61 g/mol
Exact Mass502.21
IUPAC Name4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol
SMILESCc1cc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)c(C)c3)cc2)ccc1O
InChIInChI=1S/C34H30O4/c1-21-19-27(11-17-31(21)37)33(25-7-13-29(35)14-8-25)23-3-5-24(6-4-23)34(26-9-15-30(36)16-10-26)28-12-18-32(38)22(2)20-28/h3-20,33-38H,1-2H3
InChIKeyARXSPNNYPOCYQL-UHFFFAOYSA-N
XLogP7.49
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 57.49
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-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 118667410
4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-2,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 167664595
4-[(4-methoxyphenyl)-phenylmethyl]-2-methylphenol
CID 10804464
2,6-bis[bis(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol
CID 86179554
4-(1-methoxyethyl)-2-methylphenol
CID 142839591
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
4-[bis(4-hydroxyphenyl)methyl]phenol;4-[(2,4-dihydroxy-3-methylphenyl)-(4-methylphenyl)methyl]-2-methylbenzene-1,3-diol;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-2,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 162202789
4-[bis(4-hydroxyphenyl)methyl]phenol;4-[(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;4-[(4-hydroxy-3-methylphenyl)-phenylmethyl]-2-methylphenol;4-[(4-hydroxyphenyl)methyl]phenol
CID 167558722
4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
CID 22648594
2,2-bis(4-hydroxy-3-methylphenyl)acetic acid
CID 19899945
4-[(5-hydroxy-2-methylphenyl)-(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol
CID 155000449
4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol
CID 170357941

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol?
The IUPAC name of 4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol (CID 68635784) is 4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol.
What is the SMILES notation for 4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol?
The canonical SMILES for 4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol is Cc1cc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)c(C)c3)cc2)ccc1O.
What is the InChIKey of 4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol?
The InChIKey is ARXSPNNYPOCYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O4/c1-21-19-27(11-17-31(21)37)33(25-7-13-29(35)14-8-25)23-3-5-24(6-4-23)34(26-9-15-30(36)16-10-26)28-12-18-32(38)22(2)20-28/h3-20,33-38H,1-2H3.
What are the key properties of 4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol?
4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol has a molecular weight of 502.61 g/mol, XLogP of 7.49, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol is sourced from PubChem (CID 68635784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).