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

C108H106O16 — CID 162202789

IUPAC4-[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
SMILESCc1cc(C(c2cc(C)c(O)cc2C)c2ccccc2O)c(C)cc1O.Cc1cc(C(c2ccc(O)cc2)c2cc(C)c(O)cc2C)c(C)cc1O.Cc1cc(C(c2ccc(O)cc2)c2ccc(O)c(C)c2)ccc1O.Cc1ccc(C(c2ccc(O)c(C)c2O)c2ccc(O)c(C)c2O)cc1.Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/2C23H24O3.C22H22O4.C21H20O3.C19H16O3/c1-13-11-21(25)15(3)9-19(13)23(17-5-7-18(24)8-6-17)20-10-16(4)22(26)12-14(20)2;1-13-11-21(25)15(3)9-18(13)23(17-7-5-6-8-20(17)24)19-10-16(4)22(26)12-14(19)2;1-12-4-6-15(7-5-12)20(16-8-10-18(23)13(2)21(16)25)17-9-11-19(24)14(3)22(17)26;1-13-11-16(5-9-19(13)23)21(15-3-7-18(22)8-4-15)17-6-10-20(24)14(2)12-17;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/h2*5-12,23-26H,1-4H3;4-11,20,23-26H,1-3H3;3-12,21-24H,1-2H3;1-12,19-22H
InChIKeyZRUNKMRBWVGQHC-UHFFFAOYSA-N
MW1660.02 g/mol
LogP23.63
Rot. Bonds15

About 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

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 (PubChem CID 162202789) has the molecular formula C108H106O16 and a molecular weight of 1660.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID162202789
Molecular FormulaC108H106O16
Molecular Weight1660.02 g/mol
Exact Mass1658.75
IUPAC Name4-[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
SMILESCc1cc(C(c2cc(C)c(O)cc2C)c2ccccc2O)c(C)cc1O.Cc1cc(C(c2ccc(O)cc2)c2cc(C)c(O)cc2C)c(C)cc1O.Cc1cc(C(c2ccc(O)cc2)c2ccc(O)c(C)c2)ccc1O.Cc1ccc(C(c2ccc(O)c(C)c2O)c2ccc(O)c(C)c2O)cc1.Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/2C23H24O3.C22H22O4.C21H20O3.C19H16O3/c1-13-11-21(25)15(3)9-19(13)23(17-5-7-18(24)8-6-17)20-10-16(4)22(26)12-14(20)2;1-13-11-21(25)15(3)9-18(13)23(17-7-5-6-8-20(17)24)19-10-16(4)22(26)12-14(19)2;1-12-4-6-15(7-5-12)20(16-8-10-18(23)13(2)21(16)25)17-9-11-19(24)14(3)22(17)26;1-13-11-16(5-9-19(13)23)21(15-3-7-18(22)8-4-15)17-6-10-20(24)14(2)12-17;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/h2*5-12,23-26H,1-4H3;4-11,20,23-26H,1-3H3;3-12,21-24H,1-2H3;1-12,19-22H
InChIKeyZRUNKMRBWVGQHC-UHFFFAOYSA-N
XLogP23.63
TPSA323.68 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms124
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001660.02
LogP ≤ 523.63
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(c2cc(C)c(O)cc2C)c2ccccc2O)c(C)cc1O.Cc1cc(C(c2ccc(O)cc2)c2cc(C)c(O)cc2C)c(C)cc1O.Cc1cc(C(c2ccc(O)cc2)c2ccc(O)c(C)c2)ccc1O.Cc1ccc(C(c2ccc(O)c(C)c2O)c2ccc(O)c(C)c2O)cc1.Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is ZRUNKMRBWVGQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24O3.C22H22O4.C21H20O3.C19H16O3/c1-13-11-21(25)15(3)9-19(13)23(17-5-7-18(24)8-6-17)20-10-16(4)22(26)12-14(20)2;1-13-11-21(25)15(3)9-18(13)23(17-7-5-6-8-20(17)24)19-10-16(4)22(26)12-14(19)2;1-12-4-6-15(7-5-12)20(16-8-10-18(23)13(2)21(16)25)17-9-11-19(24)14(3)22(17)26;1-13-11-16(5-9-19(13)23)21(15-3-7-18(22)8-4-15)17-6-10-20(24)14(2)12-17;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/h2*5-12,23-26H,1-4H3;4-11,20,23-26H,1-3H3;3-12,21-24H,1-2H3;1-12,19-22H.
What are the key properties of 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?
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 has a molecular weight of 1660.02 g/mol, XLogP of 23.63, 15 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162202789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).