4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol

C44H44O4 — CID 138464044

IUPAC4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
SMILESCc1cc(C(c2cc(C)c(O)cc2C)c2ccc(C(c3cc(C)c(O)cc3C)c3cc(C)c(O)cc3C)c3ccccc23)c(C)cc1O
InChIInChI=1S/C44H44O4/c1-23-19-39(45)27(5)15-35(23)43(36-16-28(6)40(46)20-24(36)2)33-13-14-34(32-12-10-9-11-31(32)33)44(37-17-29(7)41(47)21-25(37)3)38-18-30(8)42(48)22-26(38)4/h9-22,43-48H,1-8H3
InChIKeyFDUPGOPIBDZSEP-UHFFFAOYSA-N
MW636.83 g/mol
LogP10.49
Rot. Bonds6

About 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol

4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol (PubChem CID 138464044) has the molecular formula C44H44O4 and a molecular weight of 636.83 g/mol. Its IUPAC name is 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
PubChem CID138464044
Molecular FormulaC44H44O4
Molecular Weight636.83 g/mol
Exact Mass636.32
IUPAC Name4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
SMILESCc1cc(C(c2cc(C)c(O)cc2C)c2ccc(C(c3cc(C)c(O)cc3C)c3cc(C)c(O)cc3C)c3ccccc23)c(C)cc1O
InChIInChI=1S/C44H44O4/c1-23-19-39(45)27(5)15-35(23)43(36-16-28(6)40(46)20-24(36)2)33-13-14-34(32-12-10-9-11-31(32)33)44(37-17-29(7)41(47)21-25(37)3)38-18-30(8)42(48)22-26(38)4/h9-22,43-48H,1-8H3
InChIKeyFDUPGOPIBDZSEP-UHFFFAOYSA-N
XLogP10.49
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.83
LogP ≤ 510.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
2,5-dimethyl-4-(1-phenylethyl)phenol
CID 44719973
4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
CID 70451257
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
4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol
CID 22571327
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
2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol
CID 164762157
ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol
CID 143591911
3,4-dimethylnaphthalen-1-ol
CID 15915434
3-methyl-4-propan-2-ylnaphthalen-1-ol
CID 163727490
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
4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol
CID 59746015

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol?
The IUPAC name of 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol (CID 138464044) is 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol.
What is the SMILES notation for 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol?
The canonical SMILES for 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol is Cc1cc(C(c2cc(C)c(O)cc2C)c2ccc(C(c3cc(C)c(O)cc3C)c3cc(C)c(O)cc3C)c3ccccc23)c(C)cc1O.
What is the InChIKey of 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol?
The InChIKey is FDUPGOPIBDZSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44O4/c1-23-19-39(45)27(5)15-35(23)43(36-16-28(6)40(46)20-24(36)2)33-13-14-34(32-12-10-9-11-31(32)33)44(37-17-29(7)41(47)21-25(37)3)38-18-30(8)42(48)22-26(38)4/h9-22,43-48H,1-8H3.
What are the key properties of 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol?
4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol has a molecular weight of 636.83 g/mol, XLogP of 10.49, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol is sourced from PubChem (CID 138464044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).