benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol

C76H100O9 — CID 159315795

IUPACbenzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol
SMILESCC.CC.CC.CC.CO.CO.CO.Cc1cc(C(c2cc(C)c(O)c(C)c2)c2ccccc2O)c(C)cc1O.Cc1cc(C(c2cc(C)c(O)c(C)c2)c2ccccc2O)cc(C)c1O.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C23H24O3.C19H16.4C2H6.3CH4O/c1-13-12-21(25)14(2)11-19(13)22(18-7-5-6-8-20(18)24)17-9-15(3)23(26)16(4)10-17;1-13-9-17(10-14(2)22(13)25)21(19-7-5-6-8-20(19)24)18-11-15(3)23(26)16(4)12-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7*1-2/h5-12,22,24-26H,1-4H3;5-12,21,24-26H,1-4H3;1-15,19H;4*1-2H3;3*2H,1H3
InChIKeyLDCRMIDUZYZWOB-UHFFFAOYSA-N
MW1157.63 g/mol
LogP18.23
Rot. Bonds9

About benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol

benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol (PubChem CID 159315795) has the molecular formula C76H100O9 and a molecular weight of 1157.63 g/mol. Its IUPAC name is benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol.

Molecular Properties

Compound Namebenzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol
PubChem CID159315795
Molecular FormulaC76H100O9
Molecular Weight1157.63 g/mol
Exact Mass1156.74
IUPAC Namebenzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol
SMILESCC.CC.CC.CC.CO.CO.CO.Cc1cc(C(c2cc(C)c(O)c(C)c2)c2ccccc2O)c(C)cc1O.Cc1cc(C(c2cc(C)c(O)c(C)c2)c2ccccc2O)cc(C)c1O.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C23H24O3.C19H16.4C2H6.3CH4O/c1-13-12-21(25)14(2)11-19(13)22(18-7-5-6-8-20(18)24)17-9-15(3)23(26)16(4)10-17;1-13-9-17(10-14(2)22(13)25)21(19-7-5-6-8-20(19)24)18-11-15(3)23(26)16(4)12-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7*1-2/h5-12,22,24-26H,1-4H3;5-12,21,24-26H,1-4H3;1-15,19H;4*1-2H3;3*2H,1H3
InChIKeyLDCRMIDUZYZWOB-UHFFFAOYSA-N
XLogP18.23
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001157.63
LogP ≤ 518.23
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol with MolForge

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Related Compounds

4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol
CID 69478523
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-[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
ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol
CID 143591911
2,5-dimethyl-4-(1-phenylethyl)phenol
CID 44719973
4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
CID 138464044
4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 118667410
2-benzhydryl-6-methylphenol
CID 154120751
4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
CID 110175378
4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol
CID 139962444
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
CID 23156103
3-(4-benzhydryl-2,6-dimethylphenyl)-2-iodophenol
CID 166063702

Frequently Asked Questions

What is the IUPAC name of benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol?
The IUPAC name of benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol (CID 159315795) is benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol.
What is the SMILES notation for benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol?
The canonical SMILES for benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol is CC.CC.CC.CC.CO.CO.CO.Cc1cc(C(c2cc(C)c(O)c(C)c2)c2ccccc2O)c(C)cc1O.Cc1cc(C(c2cc(C)c(O)c(C)c2)c2ccccc2O)cc(C)c1O.c1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol?
The InChIKey is LDCRMIDUZYZWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24O3.C19H16.4C2H6.3CH4O/c1-13-12-21(25)14(2)11-19(13)22(18-7-5-6-8-20(18)24)17-9-15(3)23(26)16(4)10-17;1-13-9-17(10-14(2)22(13)25)21(19-7-5-6-8-20(19)24)18-11-15(3)23(26)16(4)12-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7*1-2/h5-12,22,24-26H,1-4H3;5-12,21,24-26H,1-4H3;1-15,19H;4*1-2H3;3*2H,1H3.
What are the key properties of benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol?
benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol has a molecular weight of 1157.63 g/mol, XLogP of 18.23, 9 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol is sourced from PubChem (CID 159315795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).