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

C27H24O2 — CID 22492712

IUPAC4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol
SMILESCc1ccc(-c2cc(Cc3ccc(O)c(-c4ccc(C)cc4)c3)ccc2O)cc1
InChIInChI=1S/C27H24O2/c1-18-3-9-22(10-4-18)24-16-20(7-13-26(24)28)15-21-8-14-27(29)25(17-21)23-11-5-19(2)6-12-23/h3-14,16-17,28-29H,15H2,1-2H3
InChIKeyBCYKGOSWGUHJLX-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.64
Rot. Bonds4

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

4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol (PubChem CID 22492712) has the molecular formula C27H24O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol.

Molecular Properties

Compound Name4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol
PubChem CID22492712
Molecular FormulaC27H24O2
Molecular Weight380.49 g/mol
Exact Mass380.18
IUPAC Name4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol
SMILESCc1ccc(-c2cc(Cc3ccc(O)c(-c4ccc(C)cc4)c3)ccc2O)cc1
InChIInChI=1S/C27H24O2/c1-18-3-9-22(10-4-18)24-16-20(7-13-26(24)28)15-21-8-14-27(29)25(17-21)23-11-5-19(2)6-12-23/h3-14,16-17,28-29H,15H2,1-2H3
InChIKeyBCYKGOSWGUHJLX-UHFFFAOYSA-N
XLogP6.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Diethylstilbestrol
CID 448537
Dienestrol
CID 667476
Magnolol
CID 72300
Hexestrol
CID 192197
Bisphenol B
CID 66166
Honokiol
CID 72303
9-Phenanthrol
CID 10229
2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)
CID 6928
2,2'-Methylenebis(4-methyl-6-tert-butylphenol)
CID 8398
1-Hydroxypyrene
CID 21387
Bisphenol C
CID 6620
4,4'-Butylidenebis(3-methyl-6-tert-butylphenol)
CID 6815

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol?
The IUPAC name of 4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol (CID 22492712) is 4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol.
What is the SMILES notation for 4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol?
The canonical SMILES for 4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol is Cc1ccc(-c2cc(Cc3ccc(O)c(-c4ccc(C)cc4)c3)ccc2O)cc1.
What is the InChIKey of 4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol?
The InChIKey is BCYKGOSWGUHJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O2/c1-18-3-9-22(10-4-18)24-16-20(7-13-26(24)28)15-21-8-14-27(29)25(17-21)23-11-5-19(2)6-12-23/h3-14,16-17,28-29H,15H2,1-2H3.
What are the key properties of 4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol?
4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol has a molecular weight of 380.49 g/mol, XLogP of 6.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol is sourced from PubChem (CID 22492712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).