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

C102H104O13 — CID 167558722

IUPAC4-[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
SMILESCc1cc(C(c2ccccc2)c2ccc(O)c(C)c2)ccc1O.Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O.Cc1cc(Cc2cc(C)c(O)cc2C)c(C)cc1O.Cc1cc(Cc2ccc(O)c(C)c2)ccc1O.Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.Oc1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C21H20O2.C19H16O3.2C17H20O2.C15H16O2.C13H12O2/c1-14-12-17(8-10-19(14)22)21(16-6-4-3-5-7-16)18-9-11-20(23)15(2)13-18;20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;1-10-7-16(18)12(3)5-14(10)9-15-6-13(4)17(19)8-11(15)2;1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h3-13,21-23H,1-2H3;1-12,19-22H;2*5-8,18-19H,9H2,1-4H3;3-8,16-17H,9H2,1-2H3;1-8,14-15H,9H2
InChIKeyDIVOZAFKPIIBPC-UHFFFAOYSA-N
MW1537.94 g/mol
LogP22.72
Rot. Bonds14

About 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

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 (PubChem CID 167558722) has the molecular formula C102H104O13 and a molecular weight of 1537.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID167558722
Molecular FormulaC102H104O13
Molecular Weight1537.94 g/mol
Exact Mass1536.75
IUPAC Name4-[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
SMILESCc1cc(C(c2ccccc2)c2ccc(O)c(C)c2)ccc1O.Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O.Cc1cc(Cc2cc(C)c(O)cc2C)c(C)cc1O.Cc1cc(Cc2ccc(O)c(C)c2)ccc1O.Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.Oc1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C21H20O2.C19H16O3.2C17H20O2.C15H16O2.C13H12O2/c1-14-12-17(8-10-19(14)22)21(16-6-4-3-5-7-16)18-9-11-20(23)15(2)13-18;20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;1-10-7-16(18)12(3)5-14(10)9-15-6-13(4)17(19)8-11(15)2;1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h3-13,21-23H,1-2H3;1-12,19-22H;2*5-8,18-19H,9H2,1-4H3;3-8,16-17H,9H2,1-2H3;1-8,14-15H,9H2
InChIKeyDIVOZAFKPIIBPC-UHFFFAOYSA-N
XLogP22.72
TPSA262.99 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms115
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001537.94
LogP ≤ 522.72
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(c2ccccc2)c2ccc(O)c(C)c2)ccc1O.Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O.Cc1cc(Cc2cc(C)c(O)cc2C)c(C)cc1O.Cc1cc(Cc2ccc(O)c(C)c2)ccc1O.Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.Oc1ccc(Cc2ccc(O)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is DIVOZAFKPIIBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2.C19H16O3.2C17H20O2.C15H16O2.C13H12O2/c1-14-12-17(8-10-19(14)22)21(16-6-4-3-5-7-16)18-9-11-20(23)15(2)13-18;20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;1-10-7-16(18)12(3)5-14(10)9-15-6-13(4)17(19)8-11(15)2;1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h3-13,21-23H,1-2H3;1-12,19-22H;2*5-8,18-19H,9H2,1-4H3;3-8,16-17H,9H2,1-2H3;1-8,14-15H,9H2.
What are the key properties of 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?
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 has a molecular weight of 1537.94 g/mol, XLogP of 22.72, 14 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167558722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).