2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol

C37H31I5O5 — CID 146174295

IUPAC2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol
SMILESCc1cc(Cc2cc(C)c(O)c(Cc3cc(I)c(O)c(I)c3)c2)c(O)c(Cc2cc(I)c(O)c(Cc3cc(I)c(O)c(I)c3)c2)c1C
InChIInChI=1S/C37H31I5O5/c1-17-5-24(6-20-4-18(2)33(43)25(7-20)9-22-13-29(39)36(46)30(40)14-22)34(44)27(19(17)3)11-21-8-26(35(45)28(38)12-21)10-23-15-31(41)37(47)32(42)16-23/h4-5,7-8,12-16,43-47H,6,9-11H2,1-3H3
InChIKeyRWEKSWQGTDDNHO-UHFFFAOYSA-N
MW1190.17 g/mol
LogP10.53
Rot. Bonds8

About 2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol

2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol (PubChem CID 146174295) has the molecular formula C37H31I5O5 and a molecular weight of 1190.17 g/mol. Its IUPAC name is 2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol.

Molecular Properties

Compound Name2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol
PubChem CID146174295
Molecular FormulaC37H31I5O5
Molecular Weight1190.17 g/mol
Exact Mass1189.74
IUPAC Name2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol
SMILESCc1cc(Cc2cc(C)c(O)c(Cc3cc(I)c(O)c(I)c3)c2)c(O)c(Cc2cc(I)c(O)c(Cc3cc(I)c(O)c(I)c3)c2)c1C
InChIInChI=1S/C37H31I5O5/c1-17-5-24(6-20-4-18(2)33(43)25(7-20)9-22-13-29(39)36(46)30(40)14-22)34(44)27(19(17)3)11-21-8-26(35(45)28(38)12-21)10-23-15-31(41)37(47)32(42)16-23/h4-5,7-8,12-16,43-47H,6,9-11H2,1-3H3
InChIKeyRWEKSWQGTDDNHO-UHFFFAOYSA-N
XLogP10.53
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001190.17
LogP ≤ 510.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol
CID 22925950
3,4-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
CID 166059112
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 22925753
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 15965769
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799
2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 22925864
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol
CID 90781009
4-[[2-hydroxy-5-[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-prop-2-enylphenoxy]-3-prop-2-enylphenyl]methyl]-2-iodo-6-methylphenol
CID 126698717
4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol
CID 58205477
4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol
CID 71170030

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol?
The IUPAC name of 2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol (CID 146174295) is 2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol.
What is the SMILES notation for 2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol?
The canonical SMILES for 2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol is Cc1cc(Cc2cc(C)c(O)c(Cc3cc(I)c(O)c(I)c3)c2)c(O)c(Cc2cc(I)c(O)c(Cc3cc(I)c(O)c(I)c3)c2)c1C.
What is the InChIKey of 2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol?
The InChIKey is RWEKSWQGTDDNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31I5O5/c1-17-5-24(6-20-4-18(2)33(43)25(7-20)9-22-13-29(39)36(46)30(40)14-22)34(44)27(19(17)3)11-21-8-26(35(45)28(38)12-21)10-23-15-31(41)37(47)32(42)16-23/h4-5,7-8,12-16,43-47H,6,9-11H2,1-3H3.
What are the key properties of 2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol?
2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol has a molecular weight of 1190.17 g/mol, XLogP of 10.53, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-iodophenyl]methyl]-6-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-5-methylphenyl]methyl]-3,4-dimethylphenol is sourced from PubChem (CID 146174295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).