4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol

C32H34O3 — CID 67653349

IUPAC4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol
SMILESCc1cc(-c2ccc(C(C)(c3ccc(O)c(C)c3)c3ccc(O)c(C)c3)cc2C(C)C)ccc1O
InChIInChI=1S/C32H34O3/c1-19(2)28-18-26(8-11-27(28)23-7-12-29(33)20(3)15-23)32(6,24-9-13-30(34)21(4)16-24)25-10-14-31(35)22(5)17-25/h7-19,33-35H,1-6H3
InChIKeyFVZBIYBMPRHMSW-UHFFFAOYSA-N
MW466.62 g/mol
LogP7.87
Rot. Bonds5

About 4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol

4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol (PubChem CID 67653349) has the molecular formula C32H34O3 and a molecular weight of 466.62 g/mol. Its IUPAC name is 4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol.

Molecular Properties

Compound Name4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol
PubChem CID67653349
Molecular FormulaC32H34O3
Molecular Weight466.62 g/mol
Exact Mass466.25
IUPAC Name4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol
SMILESCc1cc(-c2ccc(C(C)(c3ccc(O)c(C)c3)c3ccc(O)c(C)c3)cc2C(C)C)ccc1O
InChIInChI=1S/C32H34O3/c1-19(2)28-18-26(8-11-27(28)23-7-12-29(33)20(3)15-23)32(6,24-9-13-30(34)21(4)16-24)25-10-14-31(35)22(5)17-25/h7-19,33-35H,1-6H3
InChIKeyFVZBIYBMPRHMSW-UHFFFAOYSA-N
XLogP7.87
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 57.87
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-methyl-4-(2-propan-2-ylphenyl)phenol
CID 22438316
4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol
CID 123751575
4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol
CID 22392546
4-(5-methoxy-2-propan-2-ylphenyl)-2-methylphenol
CID 167587585
4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol
CID 11793283
4-(2,4-dimethylphenyl)-2-methylphenol
CID 53218818
2-methyl-4-phenyl-5-propan-2-ylphenol
CID 174789166
4-tert-butyl-2-propan-2-ylphenol;formaldehyde
CID 174874962
2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol
CID 150395203
4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane
CID 160951068
4-(2-chlorophenyl)-2-methylphenol
CID 53218875
2-methyl-4-(4-methylnaphthalen-1-yl)phenol
CID 53405300

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol?
The IUPAC name of 4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol (CID 67653349) is 4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol.
What is the SMILES notation for 4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol?
The canonical SMILES for 4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol is Cc1cc(-c2ccc(C(C)(c3ccc(O)c(C)c3)c3ccc(O)c(C)c3)cc2C(C)C)ccc1O.
What is the InChIKey of 4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol?
The InChIKey is FVZBIYBMPRHMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O3/c1-19(2)28-18-26(8-11-27(28)23-7-12-29(33)20(3)15-23)32(6,24-9-13-30(34)21(4)16-24)25-10-14-31(35)22(5)17-25/h7-19,33-35H,1-6H3.
What are the key properties of 4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol?
4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol has a molecular weight of 466.62 g/mol, XLogP of 7.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol is sourced from PubChem (CID 67653349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).